USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 7 THR OG1 : rot 180:sc= 0.392 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.0257 (180deg=-0.0288) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.2 (180deg=0.94) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.27 (180deg=-0.278!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.75 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.37) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0733 (180deg=-0.427) USER MOD Single : A 40 GLN : amide:sc= -0.0112 K(o=-0.011,f=-0.96) USER MOD Single : A 41 GLN : amide:sc= 0.58 K(o=0.58,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 1.1 (180deg=-0.0293) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.757 USER MOD Single : A 60 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -171:sc= -0.0269 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 68 HIS : no HE2:sc= 0.295 K(o=0.29,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.742 -6.989 -4.528 1.00 9.67 N ATOM 2 CA MET A 1 11.706 -7.265 -3.056 1.00 10.38 C ATOM 3 C MET A 1 10.327 -7.641 -2.639 1.00 9.62 C ATOM 4 O MET A 1 9.279 -7.121 -3.027 1.00 9.62 O ATOM 5 CB MET A 1 12.163 -6.054 -2.176 1.00 13.77 C ATOM 6 CG MET A 1 11.252 -4.788 -2.380 1.00 16.29 C ATOM 7 SD MET A 1 12.129 -3.247 -1.827 1.00 17.17 S ATOM 8 CE MET A 1 10.597 -2.340 -1.214 1.00 16.11 C ATOM 0 H1 MET A 1 12.638 -6.520 -4.772 1.00 9.67 H new ATOM 0 H2 MET A 1 11.666 -7.885 -5.051 1.00 9.67 H new ATOM 0 H3 MET A 1 10.947 -6.370 -4.785 1.00 9.67 H new ATOM 0 HA MET A 1 12.411 -8.080 -2.894 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.147 -6.345 -1.126 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.194 -5.799 -2.420 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.977 -4.698 -3.431 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.326 -4.906 -1.817 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.886 -1.370 -0.809 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.904 -2.195 -2.043 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.113 -2.929 -0.435 1.00 16.11 H new ATOM 20 N GLN A 2 10.216 -8.607 -1.743 1.00 9.27 N ATOM 21 CA GLN A 2 8.970 -9.088 -1.151 1.00 9.07 C ATOM 22 C GLN A 2 8.521 -8.209 0.000 1.00 8.72 C ATOM 23 O GLN A 2 9.304 -7.850 0.878 1.00 8.22 O ATOM 24 CB GLN A 2 9.229 -10.582 -0.793 1.00 14.46 C ATOM 25 CG GLN A 2 8.012 -11.402 -0.368 1.00 17.01 C ATOM 26 CD GLN A 2 8.415 -12.859 -0.108 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.438 -13.605 -1.101 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.671 -13.208 1.146 1.00 19.49 N ATOM 0 H GLN A 2 11.032 -9.105 -1.388 1.00 9.27 H new ATOM 0 HA GLN A 2 8.123 -9.029 -1.835 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.682 -11.067 -1.658 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.963 -10.618 0.012 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.573 -10.973 0.533 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.249 -11.362 -1.145 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.623 -12.511 1.889 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.916 -14.173 1.367 1.00 19.49 H new ATOM 37 N ILE A 3 7.233 -7.783 -0.032 1.00 5.87 N ATOM 38 CA ILE A 3 6.646 -7.031 1.031 1.00 5.07 C ATOM 39 C ILE A 3 5.220 -7.606 1.261 1.00 4.01 C ATOM 40 O ILE A 3 4.680 -8.385 0.487 1.00 4.61 O ATOM 41 CB ILE A 3 6.459 -5.525 0.827 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.517 -5.170 -0.336 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.803 -4.821 0.689 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.312 -3.609 -0.410 1.00 10.83 C ATOM 0 H ILE A 3 6.598 -7.967 -0.809 1.00 5.87 H new ATOM 0 HA ILE A 3 7.354 -7.129 1.854 1.00 5.07 H new ATOM 0 HB ILE A 3 5.965 -5.158 1.727 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.933 -5.535 -1.275 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.555 -5.665 -0.199 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.641 -3.753 0.545 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.392 -4.980 1.592 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.339 -5.226 -0.169 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.644 -3.369 -1.237 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.876 -3.255 0.524 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.275 -3.123 -0.569 1.00 10.83 H new ATOM 56 N PHE A 4 4.685 -7.137 2.384 1.00 4.55 N ATOM 57 CA PHE A 4 3.478 -7.604 3.027 1.00 4.68 C ATOM 58 C PHE A 4 2.567 -6.430 3.128 1.00 5.30 C ATOM 59 O PHE A 4 3.019 -5.318 3.336 1.00 5.58 O ATOM 60 CB PHE A 4 3.720 -8.301 4.427 1.00 4.83 C ATOM 61 CG PHE A 4 4.473 -9.579 4.291 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.869 -10.681 3.675 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.766 -9.696 4.797 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.546 -11.898 3.522 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.473 -10.855 4.638 1.00 10.61 C ATOM 66 CZ PHE A 4 5.870 -11.944 4.028 1.00 8.90 C ATOM 0 H PHE A 4 5.118 -6.369 2.897 1.00 4.55 H new ATOM 0 HA PHE A 4 3.033 -8.397 2.427 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.271 -7.623 5.079 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.760 -8.495 4.906 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.857 -10.591 3.309 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.214 -8.863 5.319 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.086 -12.752 3.046 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.494 -10.922 4.985 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.430 -12.863 3.935 1.00 8.90 H new ATOM 76 N VAL A 5 1.291 -6.662 2.903 1.00 4.44 N ATOM 77 CA VAL A 5 0.220 -5.676 3.083 1.00 3.87 C ATOM 78 C VAL A 5 -0.860 -6.439 3.886 1.00 4.93 C ATOM 79 O VAL A 5 -1.097 -7.656 3.688 1.00 6.84 O ATOM 80 CB VAL A 5 -0.326 -5.157 1.794 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.487 -4.238 2.013 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.806 -4.389 1.159 1.00 9.13 C ATOM 0 H VAL A 5 0.949 -7.567 2.579 1.00 4.44 H new ATOM 0 HA VAL A 5 0.584 -4.784 3.593 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.686 -5.977 1.172 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.856 -3.882 1.051 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.283 -4.774 2.531 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.169 -3.388 2.617 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.476 -3.978 0.205 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.110 -3.576 1.819 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.651 -5.057 0.993 1.00 9.13 H new ATOM 92 N LYS A 6 -1.443 -5.784 4.902 1.00 6.04 N ATOM 93 CA LYS A 6 -2.362 -6.508 5.794 1.00 6.12 C ATOM 94 C LYS A 6 -3.660 -5.773 5.733 1.00 6.57 C ATOM 95 O LYS A 6 -3.713 -4.602 6.046 1.00 5.76 O ATOM 96 CB LYS A 6 -1.864 -6.645 7.241 1.00 7.45 C ATOM 97 CG LYS A 6 -2.683 -7.552 8.142 1.00 11.12 C ATOM 98 CD LYS A 6 -2.062 -7.700 9.546 1.00 14.54 C ATOM 99 CE LYS A 6 -2.924 -8.698 10.319 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.419 -8.841 11.707 1.00 20.55 N ATOM 0 H LYS A 6 -1.304 -4.798 5.121 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.453 -7.540 5.454 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.840 -7.017 7.218 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.833 -5.652 7.689 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.693 -7.152 8.234 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.770 -8.536 7.681 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.033 -8.053 9.476 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.035 -6.738 10.058 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.960 -8.360 10.334 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.911 -9.666 9.818 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.012 -9.522 12.224 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.437 -9.183 11.686 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.454 -7.918 12.186 1.00 20.55 H new ATOM 114 N THR A 7 -4.766 -6.392 5.273 1.00 7.41 N ATOM 115 CA THR A 7 -6.054 -5.764 5.053 1.00 7.48 C ATOM 116 C THR A 7 -6.719 -5.242 6.262 1.00 8.75 C ATOM 117 O THR A 7 -6.276 -5.574 7.377 1.00 8.58 O ATOM 118 CB THR A 7 -7.101 -6.663 4.314 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.685 -7.781 5.088 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.500 -7.358 3.095 1.00 9.17 C ATOM 0 H THR A 7 -4.770 -7.385 5.039 1.00 7.41 H new ATOM 0 HA THR A 7 -5.759 -4.930 4.416 1.00 7.48 H new ATOM 0 HB THR A 7 -7.873 -5.928 4.087 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.323 -8.269 4.527 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.262 -7.971 2.613 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.138 -6.609 2.391 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.670 -7.991 3.409 1.00 9.17 H new ATOM 128 N LEU A 8 -7.816 -4.475 6.111 1.00 9.84 N ATOM 129 CA LEU A 8 -8.540 -3.965 7.253 1.00 14.15 C ATOM 130 C LEU A 8 -9.162 -5.064 8.202 1.00 17.37 C ATOM 131 O LEU A 8 -9.170 -4.905 9.422 1.00 17.01 O ATOM 132 CB LEU A 8 -9.594 -2.899 6.919 1.00 16.63 C ATOM 133 CG LEU A 8 -10.184 -2.117 8.132 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.096 -1.454 8.995 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.252 -1.119 7.784 1.00 18.59 C ATOM 0 H LEU A 8 -8.205 -4.205 5.208 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.743 -3.477 7.813 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.150 -2.180 6.230 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.415 -3.382 6.389 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.674 -2.894 8.719 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.563 -0.923 9.825 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.425 -2.219 9.385 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.529 -0.749 8.387 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.600 -0.627 8.692 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.845 -0.374 7.100 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.087 -1.631 7.307 1.00 18.59 H new ATOM 147 N THR A 9 -9.737 -6.167 7.678 1.00 18.33 N ATOM 148 CA THR A 9 -10.303 -7.197 8.530 1.00 19.24 C ATOM 149 C THR A 9 -9.125 -7.974 9.110 1.00 19.48 C ATOM 150 O THR A 9 -9.152 -8.632 10.134 1.00 23.14 O ATOM 151 CB THR A 9 -11.231 -8.152 7.771 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.710 -8.504 6.523 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.529 -7.348 7.521 1.00 19.70 C ATOM 0 H THR A 9 -9.814 -6.353 6.678 1.00 18.33 H new ATOM 0 HA THR A 9 -10.915 -6.732 9.302 1.00 19.24 H new ATOM 0 HB THR A 9 -11.374 -9.067 8.346 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.329 -9.115 6.071 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.243 -7.969 6.980 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.960 -7.047 8.476 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.300 -6.461 6.931 1.00 19.70 H new ATOM 161 N GLY A 10 -7.992 -7.934 8.375 1.00 19.43 N ATOM 162 CA GLY A 10 -6.735 -8.318 8.882 1.00 18.74 C ATOM 163 C GLY A 10 -5.949 -9.413 8.266 1.00 17.62 C ATOM 164 O GLY A 10 -5.189 -10.095 8.879 1.00 19.74 O ATOM 0 H GLY A 10 -7.966 -7.624 7.404 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.104 -7.429 8.868 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.885 -8.586 9.928 1.00 18.74 H new ATOM 168 N LYS A 11 -6.130 -9.632 6.958 1.00 13.56 N ATOM 169 CA LYS A 11 -5.454 -10.728 6.156 1.00 11.91 C ATOM 170 C LYS A 11 -4.183 -10.240 5.470 1.00 10.18 C ATOM 171 O LYS A 11 -4.126 -9.203 4.832 1.00 9.10 O ATOM 172 CB LYS A 11 -6.367 -11.234 4.995 1.00 13.43 C ATOM 173 CG LYS A 11 -5.897 -12.300 3.938 1.00 16.69 C ATOM 174 CD LYS A 11 -6.945 -12.526 2.886 1.00 17.92 C ATOM 175 CE LYS A 11 -7.004 -11.480 1.756 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.815 -12.093 0.715 1.00 21.93 N ATOM 0 H LYS A 11 -6.755 -9.058 6.393 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.239 -11.512 6.882 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.266 -11.636 5.461 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.668 -10.351 4.431 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.973 -11.965 3.467 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.676 -13.241 4.441 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.777 -13.506 2.439 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.919 -12.561 3.373 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.448 -10.548 2.104 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.006 -11.240 1.389 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.292 -11.351 0.164 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.206 -12.654 0.086 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.528 -12.713 1.150 1.00 21.93 H new ATOM 190 N THR A 12 -3.132 -11.013 5.560 1.00 9.63 N ATOM 191 CA THR A 12 -1.847 -10.626 4.951 1.00 9.85 C ATOM 192 C THR A 12 -1.752 -11.139 3.508 1.00 11.66 C ATOM 193 O THR A 12 -1.894 -12.320 3.253 1.00 12.33 O ATOM 194 CB THR A 12 -0.629 -11.232 5.658 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.690 -10.870 7.020 1.00 10.91 O ATOM 196 CG2 THR A 12 0.592 -10.502 5.145 1.00 9.63 C ATOM 0 H THR A 12 -3.121 -11.912 6.042 1.00 9.63 H new ATOM 0 HA THR A 12 -1.830 -9.539 5.023 1.00 9.85 H new ATOM 0 HB THR A 12 -0.600 -12.310 5.501 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.080 -11.249 7.494 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.484 -10.904 5.625 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.669 -10.635 4.066 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.504 -9.440 5.374 1.00 9.63 H new ATOM 204 N ILE A 13 -1.464 -10.295 2.497 1.00 10.42 N ATOM 205 CA ILE A 13 -1.314 -10.590 1.093 1.00 11.84 C ATOM 206 C ILE A 13 0.124 -10.249 0.734 1.00 10.55 C ATOM 207 O ILE A 13 0.613 -9.256 1.225 1.00 11.92 O ATOM 208 CB ILE A 13 -2.253 -9.927 0.091 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.351 -8.364 0.286 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.699 -10.492 0.210 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.293 -7.649 -0.710 1.00 16.46 C ATOM 0 H ILE A 13 -1.321 -9.302 2.680 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.589 -11.640 0.995 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.825 -10.147 -0.887 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.693 -8.158 1.300 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.353 -7.936 0.193 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.343 -9.999 -0.518 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.688 -11.565 0.016 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.080 -10.309 1.215 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.298 -6.579 -0.502 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.943 -7.819 -1.728 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.303 -8.044 -0.603 1.00 16.46 H new ATOM 223 N THR A 14 0.869 -11.110 -0.024 1.00 9.39 N ATOM 224 CA THR A 14 2.316 -10.992 -0.318 1.00 9.63 C ATOM 225 C THR A 14 2.407 -10.280 -1.670 1.00 11.20 C ATOM 226 O THR A 14 1.827 -10.757 -2.664 1.00 11.63 O ATOM 227 CB THR A 14 3.019 -12.348 -0.508 1.00 10.38 C ATOM 228 OG1 THR A 14 2.887 -13.196 0.669 1.00 16.30 O ATOM 229 CG2 THR A 14 4.497 -12.157 -0.629 1.00 11.66 C ATOM 0 H THR A 14 0.454 -11.934 -0.459 1.00 9.39 H new ATOM 0 HA THR A 14 2.792 -10.480 0.518 1.00 9.63 H new ATOM 0 HB THR A 14 2.561 -12.791 -1.392 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.344 -14.048 0.511 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.979 -13.125 -0.763 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.713 -11.522 -1.489 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.878 -11.684 0.276 1.00 11.66 H new ATOM 237 N LEU A 15 3.190 -9.169 -1.770 1.00 8.29 N ATOM 238 CA LEU A 15 3.465 -8.544 -3.104 1.00 9.03 C ATOM 239 C LEU A 15 4.923 -8.556 -3.451 1.00 8.59 C ATOM 240 O LEU A 15 5.774 -8.276 -2.639 1.00 7.79 O ATOM 241 CB LEU A 15 3.032 -7.043 -3.074 1.00 11.08 C ATOM 242 CG LEU A 15 1.544 -6.797 -2.571 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.202 -5.330 -2.586 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.523 -7.718 -3.260 1.00 15.27 C ATOM 0 H LEU A 15 3.629 -8.700 -0.978 1.00 8.29 H new ATOM 0 HA LEU A 15 2.909 -9.125 -3.840 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.716 -6.493 -2.428 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.137 -6.627 -4.076 1.00 11.08 H new ATOM 0 HG LEU A 15 1.483 -7.095 -1.524 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.179 -5.191 -2.237 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.885 -4.790 -1.930 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.294 -4.945 -3.602 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.475 -7.505 -2.877 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.544 -7.544 -4.336 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.776 -8.758 -3.056 1.00 15.27 H new ATOM 256 N GLU A 16 5.246 -8.782 -4.754 1.00 11.04 N ATOM 257 CA GLU A 16 6.569 -8.431 -5.298 1.00 11.50 C ATOM 258 C GLU A 16 6.577 -7.031 -5.879 1.00 10.13 C ATOM 259 O GLU A 16 5.837 -6.650 -6.778 1.00 9.83 O ATOM 260 CB GLU A 16 6.813 -9.434 -6.455 1.00 17.22 C ATOM 261 CG GLU A 16 8.211 -9.208 -6.998 1.00 23.33 C ATOM 262 CD GLU A 16 8.607 -10.405 -7.879 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.697 -11.579 -7.387 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.930 -10.217 -9.066 1.00 28.90 O ATOM 0 H GLU A 16 4.610 -9.201 -5.433 1.00 11.04 H new ATOM 0 HA GLU A 16 7.326 -8.471 -4.515 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.706 -10.458 -6.098 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.073 -9.292 -7.242 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.245 -8.286 -7.579 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.919 -9.094 -6.178 1.00 23.33 H new ATOM 271 N VAL A 17 7.510 -6.211 -5.355 1.00 8.99 N ATOM 272 CA VAL A 17 7.557 -4.834 -5.731 1.00 8.85 C ATOM 273 C VAL A 17 9.062 -4.491 -5.924 1.00 8.04 C ATOM 274 O VAL A 17 9.925 -5.235 -5.475 1.00 8.99 O ATOM 275 CB VAL A 17 6.994 -3.833 -4.689 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.513 -4.043 -4.446 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.719 -3.872 -3.307 1.00 10.54 C ATOM 0 H VAL A 17 8.220 -6.498 -4.682 1.00 8.99 H new ATOM 0 HA VAL A 17 6.932 -4.727 -6.618 1.00 8.85 H new ATOM 0 HB VAL A 17 7.175 -2.857 -5.140 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.159 -3.321 -3.710 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.968 -3.906 -5.380 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.345 -5.053 -4.073 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.264 -3.142 -2.637 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.626 -4.869 -2.875 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.774 -3.632 -3.443 1.00 10.54 H new ATOM 287 N GLU A 18 9.314 -3.326 -6.481 1.00 7.29 N ATOM 288 CA GLU A 18 10.636 -2.813 -6.576 1.00 7.08 C ATOM 289 C GLU A 18 10.651 -1.502 -5.779 1.00 6.45 C ATOM 290 O GLU A 18 9.568 -0.947 -5.594 1.00 5.28 O ATOM 291 CB GLU A 18 10.966 -2.408 -8.028 1.00 10.28 C ATOM 292 CG GLU A 18 10.997 -3.580 -9.034 1.00 12.65 C ATOM 293 CD GLU A 18 11.107 -3.080 -10.450 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.165 -2.396 -10.640 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.207 -3.146 -11.340 1.00 18.17 O ATOM 0 H GLU A 18 8.597 -2.718 -6.877 1.00 7.29 H new ATOM 0 HA GLU A 18 11.340 -3.566 -6.223 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.229 -1.678 -8.364 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.936 -1.911 -8.041 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.840 -4.233 -8.810 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.093 -4.179 -8.926 1.00 12.65 H new ATOM 302 N PRO A 19 11.732 -0.946 -5.293 1.00 7.24 N ATOM 303 CA PRO A 19 11.753 0.246 -4.368 1.00 7.07 C ATOM 304 C PRO A 19 11.377 1.560 -4.979 1.00 6.65 C ATOM 305 O PRO A 19 11.034 2.429 -4.233 1.00 6.37 O ATOM 306 CB PRO A 19 13.189 0.292 -3.728 1.00 7.61 C ATOM 307 CG PRO A 19 13.966 -0.486 -4.696 1.00 8.16 C ATOM 308 CD PRO A 19 13.064 -1.527 -5.398 1.00 7.49 C ATOM 0 HA PRO A 19 10.969 0.104 -3.624 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.561 1.312 -3.628 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.209 -0.153 -2.733 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.408 0.180 -5.437 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.789 -0.991 -4.190 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.356 -1.676 -6.437 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.118 -2.500 -4.909 1.00 7.49 H new ATOM 316 N SER A 20 11.512 1.659 -6.297 1.00 6.80 N ATOM 317 CA SER A 20 11.105 2.757 -7.084 1.00 6.28 C ATOM 318 C SER A 20 9.718 2.652 -7.700 1.00 8.45 C ATOM 319 O SER A 20 9.362 3.331 -8.692 1.00 7.26 O ATOM 320 CB SER A 20 12.152 3.073 -8.254 1.00 8.57 C ATOM 321 OG SER A 20 13.477 3.430 -7.760 1.00 11.13 O ATOM 0 H SER A 20 11.937 0.917 -6.852 1.00 6.80 H new ATOM 0 HA SER A 20 11.067 3.571 -6.360 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.236 2.201 -8.902 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.768 3.889 -8.866 1.00 8.57 H new ATOM 0 HG SER A 20 14.071 3.610 -8.518 1.00 11.13 H new ATOM 327 N ASP A 21 8.808 1.756 -7.195 1.00 7.50 N ATOM 328 CA ASP A 21 7.423 1.711 -7.617 1.00 7.70 C ATOM 329 C ASP A 21 6.662 2.745 -6.782 1.00 7.08 C ATOM 330 O ASP A 21 7.022 2.981 -5.618 1.00 8.11 O ATOM 331 CB ASP A 21 6.705 0.313 -7.417 1.00 11.00 C ATOM 332 CG ASP A 21 7.292 -0.768 -8.201 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.703 -0.605 -9.387 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.226 -1.931 -7.700 1.00 18.03 O ATOM 0 H ASP A 21 9.044 1.060 -6.488 1.00 7.50 H new ATOM 0 HA ASP A 21 7.416 1.907 -8.689 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.741 0.044 -6.361 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.653 0.414 -7.685 1.00 11.00 H new ATOM 339 N THR A 22 5.519 3.332 -7.345 1.00 5.37 N ATOM 340 CA THR A 22 4.843 4.299 -6.466 1.00 6.01 C ATOM 341 C THR A 22 3.953 3.615 -5.466 1.00 8.01 C ATOM 342 O THR A 22 3.650 2.437 -5.603 1.00 8.11 O ATOM 343 CB THR A 22 3.893 5.325 -7.148 1.00 8.92 C ATOM 344 OG1 THR A 22 3.028 4.702 -8.140 1.00 10.22 O ATOM 345 CG2 THR A 22 4.782 6.350 -7.897 1.00 9.65 C ATOM 0 H THR A 22 5.120 3.165 -8.269 1.00 5.37 H new ATOM 0 HA THR A 22 5.699 4.821 -6.039 1.00 6.01 H new ATOM 0 HB THR A 22 3.267 5.777 -6.378 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.448 5.382 -8.541 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.150 7.088 -8.390 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.438 6.851 -7.185 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.384 5.832 -8.643 1.00 9.65 H new ATOM 353 N ILE A 23 3.452 4.373 -4.460 1.00 8.32 N ATOM 354 CA ILE A 23 2.435 3.910 -3.560 1.00 9.92 C ATOM 355 C ILE A 23 1.132 3.613 -4.352 1.00 10.01 C ATOM 356 O ILE A 23 0.537 2.559 -4.109 1.00 8.71 O ATOM 357 CB ILE A 23 2.190 4.885 -2.448 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.452 5.167 -1.629 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.142 4.192 -1.557 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.155 3.935 -1.025 1.00 12.30 C ATOM 0 H ILE A 23 3.763 5.326 -4.272 1.00 8.32 H new ATOM 0 HA ILE A 23 2.781 2.988 -3.094 1.00 9.92 H new ATOM 0 HB ILE A 23 1.866 5.849 -2.839 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.165 5.691 -2.266 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.190 5.846 -0.817 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.900 4.836 -0.712 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.240 4.001 -2.138 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.544 3.248 -1.190 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.035 4.255 -0.467 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.469 3.417 -0.355 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.459 3.260 -1.826 1.00 12.30 H new ATOM 372 N GLU A 24 0.772 4.491 -5.321 1.00 9.54 N ATOM 373 CA GLU A 24 -0.331 4.122 -6.220 1.00 11.81 C ATOM 374 C GLU A 24 -0.125 2.854 -7.002 1.00 11.14 C ATOM 375 O GLU A 24 -1.068 2.106 -7.216 1.00 10.62 O ATOM 376 CB GLU A 24 -0.548 5.304 -7.177 1.00 19.24 C ATOM 377 CG GLU A 24 -1.904 5.286 -7.958 1.00 27.76 C ATOM 378 CD GLU A 24 -2.065 6.531 -8.748 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.869 7.670 -8.206 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.452 6.407 -9.942 1.00 36.51 O ATOM 0 H GLU A 24 1.201 5.401 -5.489 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.203 3.915 -5.599 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.488 6.230 -6.605 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.269 5.322 -7.899 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.937 4.421 -8.620 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.733 5.183 -7.257 1.00 27.76 H new ATOM 387 N ASN A 25 1.116 2.467 -7.372 1.00 9.43 N ATOM 388 CA ASN A 25 1.480 1.198 -8.082 1.00 10.96 C ATOM 389 C ASN A 25 1.158 0.013 -7.237 1.00 9.68 C ATOM 390 O ASN A 25 0.739 -1.046 -7.696 1.00 9.33 O ATOM 391 CB ASN A 25 2.967 1.294 -8.479 1.00 16.78 C ATOM 392 CG ASN A 25 3.178 0.265 -9.605 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.681 -0.797 -9.219 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.792 0.551 -10.873 1.00 24.70 N ATOM 0 H ASN A 25 1.933 3.047 -7.181 1.00 9.43 H new ATOM 0 HA ASN A 25 0.893 1.066 -8.991 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.215 2.299 -8.819 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.612 1.077 -7.628 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.908 -0.144 -11.610 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.386 1.461 -11.089 1.00 24.70 H new ATOM 401 N VAL A 26 1.336 0.127 -5.958 1.00 6.52 N ATOM 402 CA VAL A 26 1.097 -0.890 -5.000 1.00 5.53 C ATOM 403 C VAL A 26 -0.435 -0.923 -4.751 1.00 4.42 C ATOM 404 O VAL A 26 -1.043 -1.981 -4.677 1.00 3.40 O ATOM 405 CB VAL A 26 1.904 -0.588 -3.711 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.598 -1.722 -2.763 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.376 -0.557 -3.918 1.00 8.12 C ATOM 0 H VAL A 26 1.674 0.991 -5.535 1.00 6.52 H new ATOM 0 HA VAL A 26 1.424 -1.870 -5.347 1.00 5.53 H new ATOM 0 HB VAL A 26 1.619 0.399 -3.346 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.138 -1.571 -1.828 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.527 -1.750 -2.563 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.908 -2.666 -3.212 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.872 -0.340 -2.972 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.712 -1.525 -4.290 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.625 0.217 -4.644 1.00 8.12 H new ATOM 417 N LYS A 27 -1.109 0.220 -4.662 1.00 2.64 N ATOM 418 CA LYS A 27 -2.611 0.254 -4.630 1.00 4.14 C ATOM 419 C LYS A 27 -3.275 -0.336 -5.911 1.00 5.58 C ATOM 420 O LYS A 27 -4.308 -1.029 -5.790 1.00 4.11 O ATOM 421 CB LYS A 27 -3.169 1.635 -4.389 1.00 3.97 C ATOM 422 CG LYS A 27 -2.655 2.224 -3.060 1.00 7.45 C ATOM 423 CD LYS A 27 -3.317 3.608 -2.841 1.00 9.02 C ATOM 424 CE LYS A 27 -2.982 4.146 -1.366 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.514 5.518 -1.269 1.00 15.47 N ATOM 0 H LYS A 27 -0.667 1.138 -4.610 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.864 -0.384 -3.783 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.888 2.292 -5.213 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.258 1.592 -4.373 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.894 1.556 -2.233 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.570 2.324 -3.086 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.955 4.316 -3.587 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.396 3.530 -2.973 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.435 3.504 -0.611 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.907 4.137 -1.189 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.911 6.080 -0.635 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.524 5.954 -2.213 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.482 5.489 -0.891 1.00 15.47 H new ATOM 439 N ALA A 28 -2.757 -0.096 -7.132 1.00 6.61 N ATOM 440 CA ALA A 28 -3.093 -0.721 -8.381 1.00 7.74 C ATOM 441 C ALA A 28 -2.875 -2.244 -8.370 1.00 9.17 C ATOM 442 O ALA A 28 -3.684 -3.047 -8.839 1.00 11.45 O ATOM 443 CB ALA A 28 -2.327 -0.133 -9.479 1.00 7.68 C ATOM 0 H ALA A 28 -2.029 0.608 -7.256 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.158 -0.540 -8.530 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.598 -0.622 -10.415 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.549 0.932 -9.548 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.262 -0.270 -9.294 1.00 7.68 H new ATOM 449 N LYS A 29 -1.778 -2.689 -7.758 1.00 8.96 N ATOM 450 CA LYS A 29 -1.503 -4.080 -7.615 1.00 7.90 C ATOM 451 C LYS A 29 -2.499 -4.809 -6.675 1.00 6.92 C ATOM 452 O LYS A 29 -2.968 -5.907 -6.972 1.00 6.87 O ATOM 453 CB LYS A 29 -0.068 -4.288 -7.120 1.00 10.28 C ATOM 454 CG LYS A 29 0.474 -5.693 -6.983 1.00 14.94 C ATOM 455 CD LYS A 29 1.994 -5.734 -6.994 1.00 19.69 C ATOM 456 CE LYS A 29 2.620 -5.835 -8.392 1.00 22.63 C ATOM 457 NZ LYS A 29 4.096 -5.527 -8.385 1.00 24.98 N ATOM 0 H LYS A 29 -1.068 -2.079 -7.354 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.624 -4.522 -8.604 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.593 -3.747 -7.797 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.014 -3.809 -6.144 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.109 -6.131 -6.054 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.091 -6.308 -7.798 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.372 -4.836 -6.505 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.326 -6.585 -6.399 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.463 -6.839 -8.786 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.111 -5.146 -9.066 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.555 -6.008 -9.185 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.237 -4.500 -8.472 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.516 -5.860 -7.494 1.00 24.98 H new ATOM 471 N ILE A 30 -2.821 -4.170 -5.515 1.00 4.57 N ATOM 472 CA ILE A 30 -3.871 -4.544 -4.586 1.00 5.58 C ATOM 473 C ILE A 30 -5.289 -4.656 -5.263 1.00 7.26 C ATOM 474 O ILE A 30 -6.008 -5.648 -5.071 1.00 9.46 O ATOM 475 CB ILE A 30 -3.957 -3.643 -3.377 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.712 -3.821 -2.410 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.202 -3.855 -2.518 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.479 -2.532 -1.583 1.00 2.00 C ATOM 0 H ILE A 30 -2.315 -3.339 -5.207 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.575 -5.536 -4.245 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.988 -2.645 -3.814 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.882 -4.664 -1.740 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.821 -4.052 -2.994 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.182 -3.167 -1.673 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.093 -3.668 -3.117 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.220 -4.881 -2.151 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.621 -2.672 -0.925 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.287 -1.697 -2.257 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.365 -2.319 -0.984 1.00 2.00 H new ATOM 490 N GLN A 31 -5.706 -3.782 -6.210 1.00 7.06 N ATOM 491 CA GLN A 31 -6.837 -3.965 -7.052 1.00 8.67 C ATOM 492 C GLN A 31 -6.782 -5.131 -8.030 1.00 10.90 C ATOM 493 O GLN A 31 -7.774 -5.912 -8.158 1.00 9.63 O ATOM 494 CB GLN A 31 -6.909 -2.670 -7.945 1.00 9.12 C ATOM 495 CG GLN A 31 -8.009 -2.762 -8.977 1.00 10.76 C ATOM 496 CD GLN A 31 -8.134 -1.348 -9.637 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.114 -0.613 -9.410 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.057 -0.939 -10.344 1.00 14.76 N ATOM 0 H GLN A 31 -5.220 -2.903 -6.389 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.680 -4.164 -6.390 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.077 -1.800 -7.311 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.952 -2.520 -8.445 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.773 -3.518 -9.726 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.950 -3.056 -8.513 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.279 -1.579 -10.503 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.023 0.009 -10.718 1.00 14.76 H new ATOM 507 N ASP A 32 -5.632 -5.343 -8.721 1.00 10.93 N ATOM 508 CA ASP A 32 -5.409 -6.544 -9.507 1.00 14.01 C ATOM 509 C ASP A 32 -5.491 -7.881 -8.724 1.00 14.04 C ATOM 510 O ASP A 32 -6.054 -8.850 -9.185 1.00 13.39 O ATOM 511 CB ASP A 32 -4.018 -6.399 -10.189 1.00 18.01 C ATOM 512 CG ASP A 32 -3.828 -7.346 -11.309 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.620 -7.332 -12.310 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.838 -8.101 -11.212 1.00 25.17 O ATOM 0 H ASP A 32 -4.854 -4.684 -8.738 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.224 -6.613 -10.227 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.904 -5.380 -10.558 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.236 -6.559 -9.447 1.00 18.01 H new ATOM 519 N LYS A 33 -4.949 -7.938 -7.477 1.00 14.22 N ATOM 520 CA LYS A 33 -5.029 -9.149 -6.689 1.00 14.00 C ATOM 521 C LYS A 33 -6.254 -9.263 -5.776 1.00 12.37 C ATOM 522 O LYS A 33 -6.906 -10.312 -5.785 1.00 12.17 O ATOM 523 CB LYS A 33 -3.660 -9.259 -5.922 1.00 18.62 C ATOM 524 CG LYS A 33 -3.512 -10.623 -5.219 1.00 24.00 C ATOM 525 CD LYS A 33 -2.329 -10.792 -4.289 1.00 27.61 C ATOM 526 CE LYS A 33 -0.993 -10.784 -4.991 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.942 -11.841 -6.039 1.00 30.06 N ATOM 0 H LYS A 33 -4.466 -7.163 -7.023 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.184 -10.000 -7.352 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.837 -9.119 -6.623 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.590 -8.459 -5.185 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.421 -10.810 -4.648 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.453 -11.395 -5.986 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.344 -9.992 -3.549 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.437 -11.731 -3.746 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.820 -9.808 -5.444 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.195 -10.945 -4.266 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.044 -11.992 -6.332 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.330 -12.727 -5.657 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.505 -11.542 -6.861 1.00 30.06 H new ATOM 541 N GLU A 34 -6.628 -8.224 -5.065 1.00 10.11 N ATOM 542 CA GLU A 34 -7.739 -8.251 -4.130 1.00 10.07 C ATOM 543 C GLU A 34 -8.996 -7.448 -4.474 1.00 9.32 C ATOM 544 O GLU A 34 -9.989 -7.469 -3.755 1.00 11.61 O ATOM 545 CB GLU A 34 -7.284 -7.768 -2.752 1.00 14.77 C ATOM 546 CG GLU A 34 -6.414 -8.789 -2.047 1.00 18.75 C ATOM 547 CD GLU A 34 -7.149 -10.062 -1.672 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.181 -10.032 -0.935 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.718 -11.125 -2.089 1.00 25.19 O ATOM 0 H GLU A 34 -6.163 -7.318 -5.118 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.034 -9.300 -4.170 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.731 -6.835 -2.860 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.158 -7.552 -2.138 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.572 -9.042 -2.691 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.001 -8.339 -1.144 1.00 18.75 H new ATOM 556 N GLY A 35 -9.007 -6.789 -5.643 1.00 7.22 N ATOM 557 CA GLY A 35 -10.284 -6.335 -6.137 1.00 6.29 C ATOM 558 C GLY A 35 -10.660 -4.976 -5.510 1.00 6.93 C ATOM 559 O GLY A 35 -11.702 -4.403 -5.875 1.00 7.41 O ATOM 0 H GLY A 35 -8.194 -6.576 -6.221 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.248 -6.243 -7.222 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.052 -7.073 -5.906 1.00 6.29 H new ATOM 563 N ILE A 36 -9.801 -4.404 -4.656 1.00 5.86 N ATOM 564 CA ILE A 36 -10.148 -3.216 -3.907 1.00 6.07 C ATOM 565 C ILE A 36 -9.823 -1.957 -4.745 1.00 6.36 C ATOM 566 O ILE A 36 -8.610 -1.808 -5.021 1.00 6.18 O ATOM 567 CB ILE A 36 -9.538 -3.178 -2.509 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.896 -4.426 -1.750 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.930 -1.893 -1.791 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.804 -4.802 -0.689 1.00 9.49 C ATOM 0 H ILE A 36 -8.861 -4.755 -4.475 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.223 -3.238 -3.726 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.451 -3.164 -2.582 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.854 -4.284 -1.250 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.021 -5.252 -2.450 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.486 -1.883 -0.795 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.569 -1.035 -2.358 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.015 -1.841 -1.705 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.104 -5.709 -0.164 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.852 -4.971 -1.191 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.697 -3.987 0.027 1.00 9.49 H new ATOM 582 N PRO A 37 -10.598 -1.038 -5.140 1.00 8.65 N ATOM 583 CA PRO A 37 -10.159 0.163 -5.854 1.00 9.18 C ATOM 584 C PRO A 37 -9.141 1.103 -5.110 1.00 9.85 C ATOM 585 O PRO A 37 -9.289 1.194 -3.911 1.00 8.51 O ATOM 586 CB PRO A 37 -11.437 0.966 -6.241 1.00 11.42 C ATOM 587 CG PRO A 37 -12.621 0.034 -5.884 1.00 9.27 C ATOM 588 CD PRO A 37 -12.048 -0.982 -4.880 1.00 8.33 C ATOM 0 HA PRO A 37 -9.589 -0.190 -6.713 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.494 1.905 -5.691 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.439 1.217 -7.302 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.446 0.596 -5.447 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.010 -0.466 -6.771 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.249 -0.672 -3.854 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.506 -1.962 -5.012 1.00 8.33 H new ATOM 596 N PRO A 38 -8.159 1.701 -5.810 1.00 8.71 N ATOM 597 CA PRO A 38 -7.179 2.560 -5.177 1.00 9.08 C ATOM 598 C PRO A 38 -7.746 3.779 -4.500 1.00 9.28 C ATOM 599 O PRO A 38 -7.244 4.297 -3.497 1.00 6.50 O ATOM 600 CB PRO A 38 -6.289 2.988 -6.343 1.00 10.31 C ATOM 601 CG PRO A 38 -6.290 1.720 -7.174 1.00 10.81 C ATOM 602 CD PRO A 38 -7.736 1.328 -7.187 1.00 12.00 C ATOM 0 HA PRO A 38 -6.674 2.027 -4.372 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.699 3.840 -6.886 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.287 3.269 -6.018 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.910 1.897 -8.180 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.666 0.945 -6.729 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.300 1.866 -7.949 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.871 0.264 -7.383 1.00 12.00 H new ATOM 610 N ASP A 39 -8.899 4.316 -5.059 1.00 11.20 N ATOM 611 CA ASP A 39 -9.683 5.402 -4.442 1.00 14.96 C ATOM 612 C ASP A 39 -10.223 4.985 -3.114 1.00 13.99 C ATOM 613 O ASP A 39 -10.360 5.848 -2.226 1.00 13.75 O ATOM 614 CB ASP A 39 -10.881 5.830 -5.405 1.00 24.16 C ATOM 615 CG ASP A 39 -10.295 6.314 -6.767 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.090 5.444 -7.626 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.252 7.526 -6.984 1.00 35.55 O ATOM 0 H ASP A 39 -9.286 3.991 -5.945 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.021 6.254 -4.291 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.555 4.988 -5.564 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.468 6.625 -4.945 1.00 24.16 H new ATOM 622 N GLN A 40 -10.390 3.647 -2.856 1.00 11.60 N ATOM 623 CA GLN A 40 -10.830 3.133 -1.569 1.00 10.76 C ATOM 624 C GLN A 40 -9.673 2.573 -0.747 1.00 8.01 C ATOM 625 O GLN A 40 -9.914 1.828 0.203 1.00 8.96 O ATOM 626 CB GLN A 40 -11.960 2.034 -1.577 1.00 11.14 C ATOM 627 CG GLN A 40 -13.139 2.654 -2.180 1.00 14.85 C ATOM 628 CD GLN A 40 -14.293 1.779 -2.035 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.353 0.662 -2.545 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.324 2.286 -1.309 1.00 18.16 N ATOM 0 H GLN A 40 -10.217 2.920 -3.550 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.264 4.029 -1.126 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.647 1.160 -2.148 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.176 1.693 -0.565 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.338 3.614 -1.704 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.955 2.854 -3.236 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.249 3.216 -0.896 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.173 1.737 -1.177 1.00 18.16 H new ATOM 639 N GLN A 41 -8.393 2.906 -1.035 1.00 6.52 N ATOM 640 CA GLN A 41 -7.273 2.428 -0.212 1.00 3.87 C ATOM 641 C GLN A 41 -6.525 3.606 0.386 1.00 4.79 C ATOM 642 O GLN A 41 -6.142 4.533 -0.328 1.00 6.34 O ATOM 643 CB GLN A 41 -6.264 1.555 -0.967 1.00 4.20 C ATOM 644 CG GLN A 41 -7.026 0.303 -1.462 1.00 3.20 C ATOM 645 CD GLN A 41 -6.008 -0.428 -2.353 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.795 -0.565 -2.074 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.453 -0.924 -3.525 1.00 7.13 N ATOM 0 H GLN A 41 -8.119 3.496 -1.821 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.728 1.806 0.559 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.834 2.101 -1.807 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.438 1.270 -0.316 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.348 -0.322 -0.630 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.921 0.576 -2.021 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.436 -0.827 -3.779 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.807 -1.396 -4.157 1.00 7.13 H new ATOM 656 N ARG A 42 -6.195 3.530 1.701 1.00 5.73 N ATOM 657 CA ARG A 42 -5.180 4.241 2.415 1.00 6.97 C ATOM 658 C ARG A 42 -4.180 3.285 2.929 1.00 7.15 C ATOM 659 O ARG A 42 -4.469 2.238 3.505 1.00 7.33 O ATOM 660 CB ARG A 42 -5.777 5.025 3.527 1.00 13.23 C ATOM 661 CG ARG A 42 -4.704 5.713 4.375 1.00 21.27 C ATOM 662 CD ARG A 42 -5.261 7.005 4.970 1.00 26.14 C ATOM 663 NE ARG A 42 -5.453 7.950 3.911 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.531 8.560 3.468 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.742 8.313 3.945 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.352 9.570 2.629 1.00 36.39 N ATOM 0 H ARG A 42 -6.702 2.898 2.321 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.689 4.940 1.738 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.455 5.775 3.120 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.372 4.366 4.158 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.376 5.047 5.173 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.829 5.932 3.763 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.205 6.811 5.479 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.573 7.406 5.715 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.599 8.194 3.409 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.867 7.625 4.687 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.549 8.811 3.570 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.409 9.843 2.354 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.158 10.074 2.258 1.00 36.39 H new ATOM 680 N LEU A 43 -2.891 3.555 2.610 1.00 4.65 N ATOM 681 CA LEU A 43 -1.832 2.601 3.129 1.00 3.51 C ATOM 682 C LEU A 43 -1.129 3.400 4.175 1.00 5.56 C ATOM 683 O LEU A 43 -0.833 4.602 4.030 1.00 4.19 O ATOM 684 CB LEU A 43 -0.917 2.174 2.019 1.00 3.74 C ATOM 685 CG LEU A 43 -1.631 1.467 0.770 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.677 0.959 -0.325 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.463 0.261 1.220 1.00 6.41 C ATOM 0 H LEU A 43 -2.560 4.342 2.051 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.236 1.672 3.531 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.378 3.050 1.659 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.175 1.488 2.427 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.245 2.261 0.346 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.255 0.497 -1.126 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.105 1.796 -0.726 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.006 0.224 0.100 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.936 -0.199 0.352 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.815 -0.467 1.708 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.231 0.590 1.920 1.00 6.41 H new ATOM 699 N ILE A 44 -0.846 2.732 5.294 1.00 4.58 N ATOM 700 CA ILE A 44 -0.131 3.354 6.395 1.00 5.55 C ATOM 701 C ILE A 44 1.024 2.515 6.846 1.00 5.46 C ATOM 702 O ILE A 44 0.926 1.302 6.994 1.00 6.04 O ATOM 703 CB ILE A 44 -1.109 3.605 7.599 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.350 4.286 7.077 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.375 4.347 8.744 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.383 4.744 8.175 1.00 13.90 C ATOM 0 H ILE A 44 -1.104 1.759 5.456 1.00 4.58 H new ATOM 0 HA ILE A 44 0.263 4.306 6.039 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.441 2.671 8.052 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.049 5.160 6.499 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.854 3.607 6.389 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.065 4.514 9.571 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.465 3.744 9.089 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.008 5.306 8.379 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.237 5.221 7.695 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.723 3.876 8.740 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.905 5.452 8.852 1.00 13.90 H new ATOM 718 N PHE A 45 2.226 3.103 7.043 1.00 6.75 N ATOM 719 CA PHE A 45 3.425 2.425 7.493 1.00 4.70 C ATOM 720 C PHE A 45 4.180 3.494 8.293 1.00 6.34 C ATOM 721 O PHE A 45 4.334 4.600 7.757 1.00 5.45 O ATOM 722 CB PHE A 45 4.243 1.870 6.324 1.00 5.51 C ATOM 723 CG PHE A 45 5.594 1.370 6.794 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.752 0.203 7.571 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.691 2.128 6.371 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.028 -0.248 7.816 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.961 1.726 6.772 1.00 6.64 C ATOM 728 CZ PHE A 45 8.175 0.507 7.408 1.00 6.84 C ATOM 0 H PHE A 45 2.374 4.099 6.882 1.00 6.75 H new ATOM 0 HA PHE A 45 3.207 1.546 8.099 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.696 1.057 5.847 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.381 2.646 5.571 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.894 -0.322 7.963 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.556 3.001 5.750 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.168 -1.190 8.326 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.802 2.377 6.585 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.175 0.141 7.588 1.00 6.84 H new ATOM 738 N ALA A 46 4.642 3.113 9.525 1.00 6.53 N ATOM 739 CA ALA A 46 5.396 3.969 10.480 1.00 7.15 C ATOM 740 C ALA A 46 4.623 5.184 10.900 1.00 9.00 C ATOM 741 O ALA A 46 4.983 6.365 10.960 1.00 11.15 O ATOM 742 CB ALA A 46 6.689 4.393 9.899 1.00 8.99 C ATOM 0 H ALA A 46 4.491 2.171 9.885 1.00 6.53 H new ATOM 0 HA ALA A 46 5.570 3.358 11.365 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.222 5.018 10.615 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.289 3.513 9.667 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.509 4.961 8.986 1.00 8.99 H new ATOM 748 N GLY A 47 3.350 4.977 11.248 1.00 9.35 N ATOM 749 CA GLY A 47 2.444 5.929 11.814 1.00 11.68 C ATOM 750 C GLY A 47 1.930 6.899 10.805 1.00 11.14 C ATOM 751 O GLY A 47 1.331 7.897 11.161 1.00 13.93 O ATOM 0 H GLY A 47 2.912 4.064 11.124 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.604 5.402 12.267 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.947 6.473 12.613 1.00 11.68 H new ATOM 755 N LYS A 48 2.171 6.693 9.508 1.00 10.47 N ATOM 756 CA LYS A 48 2.152 7.681 8.494 1.00 8.82 C ATOM 757 C LYS A 48 1.371 7.171 7.302 1.00 7.68 C ATOM 758 O LYS A 48 1.557 6.082 6.779 1.00 6.47 O ATOM 759 CB LYS A 48 3.554 8.115 7.887 1.00 9.74 C ATOM 760 CG LYS A 48 4.405 8.972 8.892 1.00 14.14 C ATOM 761 CD LYS A 48 5.902 9.027 8.428 1.00 16.32 C ATOM 762 CE LYS A 48 6.887 9.351 9.524 1.00 20.04 C ATOM 763 NZ LYS A 48 6.948 8.349 10.630 1.00 23.92 N ATOM 0 H LYS A 48 2.395 5.767 9.144 1.00 10.47 H new ATOM 0 HA LYS A 48 1.722 8.542 9.007 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.117 7.224 7.607 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.390 8.688 6.974 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.999 9.982 8.954 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.342 8.541 9.891 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.169 8.065 7.990 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.997 9.773 7.639 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.880 9.446 9.084 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.631 10.323 9.947 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.852 8.835 11.544 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.175 7.662 10.520 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.860 7.851 10.597 1.00 23.92 H new ATOM 777 N GLN A 49 0.491 8.006 6.757 1.00 8.89 N ATOM 778 CA GLN A 49 -0.196 7.820 5.476 1.00 7.18 C ATOM 779 C GLN A 49 0.746 7.864 4.321 1.00 8.23 C ATOM 780 O GLN A 49 1.657 8.732 4.259 1.00 9.70 O ATOM 781 CB GLN A 49 -1.334 8.851 5.219 1.00 11.67 C ATOM 782 CG GLN A 49 -0.974 10.413 5.257 1.00 15.82 C ATOM 783 CD GLN A 49 -2.204 11.184 4.766 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.564 11.354 3.598 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.053 11.538 5.790 1.00 20.67 N ATOM 0 H GLN A 49 0.222 8.875 7.218 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.643 6.829 5.555 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.764 8.634 4.241 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.116 8.673 5.957 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.708 10.720 6.268 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.112 10.623 4.623 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.767 11.402 6.760 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.968 11.936 5.579 1.00 20.67 H new ATOM 794 N LEU A 50 0.635 6.901 3.443 1.00 6.51 N ATOM 795 CA LEU A 50 1.578 6.827 2.335 1.00 7.41 C ATOM 796 C LEU A 50 0.857 7.409 1.133 1.00 8.27 C ATOM 797 O LEU A 50 -0.118 6.892 0.580 1.00 8.34 O ATOM 798 CB LEU A 50 1.943 5.402 2.079 1.00 7.13 C ATOM 799 CG LEU A 50 2.428 4.588 3.317 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.749 3.113 2.982 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.574 5.241 4.103 1.00 9.11 C ATOM 0 H LEU A 50 -0.076 6.170 3.462 1.00 6.51 H new ATOM 0 HA LEU A 50 2.498 7.372 2.548 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.076 4.896 1.653 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.728 5.379 1.323 1.00 7.13 H new ATOM 0 HG LEU A 50 1.567 4.597 3.985 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.081 2.599 3.884 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.855 2.625 2.595 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.538 3.074 2.231 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.846 4.605 4.946 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.438 5.367 3.450 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.253 6.215 4.472 1.00 9.11 H new ATOM 813 N GLU A 51 1.275 8.623 0.675 1.00 9.43 N ATOM 814 CA GLU A 51 0.692 9.325 -0.415 1.00 11.90 C ATOM 815 C GLU A 51 0.993 8.679 -1.743 1.00 11.49 C ATOM 816 O GLU A 51 2.115 8.319 -2.060 1.00 9.88 O ATOM 817 CB GLU A 51 1.218 10.774 -0.419 1.00 16.56 C ATOM 818 CG GLU A 51 0.878 11.655 0.801 1.00 26.06 C ATOM 819 CD GLU A 51 1.491 13.041 0.760 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.690 13.222 0.484 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.683 13.988 0.858 1.00 33.44 O ATOM 0 H GLU A 51 2.057 9.124 1.096 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.390 9.305 -0.282 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.303 10.738 -0.517 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.833 11.270 -1.310 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.205 11.752 0.874 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.215 11.148 1.705 1.00 26.06 H new ATOM 828 N ASP A 52 -0.046 8.605 -2.620 1.00 12.71 N ATOM 829 CA ASP A 52 -0.188 7.884 -3.859 1.00 16.56 C ATOM 830 C ASP A 52 0.936 8.285 -4.846 1.00 15.83 C ATOM 831 O ASP A 52 1.549 7.377 -5.434 1.00 17.21 O ATOM 832 CB ASP A 52 -1.532 8.298 -4.495 1.00 21.05 C ATOM 833 CG ASP A 52 -2.661 7.886 -3.633 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.959 6.653 -3.602 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.247 8.769 -2.980 1.00 28.37 O ATOM 0 H ASP A 52 -0.900 9.127 -2.422 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.140 6.813 -3.662 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.554 9.378 -4.642 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.632 7.840 -5.479 1.00 21.05 H new ATOM 840 N GLY A 53 1.249 9.643 -4.950 1.00 15.00 N ATOM 841 CA GLY A 53 2.282 10.232 -5.834 1.00 11.77 C ATOM 842 C GLY A 53 3.705 10.033 -5.413 1.00 11.10 C ATOM 843 O GLY A 53 4.593 10.814 -5.838 1.00 11.25 O ATOM 0 H GLY A 53 0.763 10.349 -4.397 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.158 9.812 -6.832 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.095 11.303 -5.913 1.00 11.77 H new ATOM 847 N ARG A 54 4.097 9.059 -4.542 1.00 8.53 N ATOM 848 CA ARG A 54 5.406 8.949 -3.942 1.00 9.05 C ATOM 849 C ARG A 54 5.900 7.490 -4.040 1.00 8.96 C ATOM 850 O ARG A 54 5.079 6.598 -4.273 1.00 11.60 O ATOM 851 CB ARG A 54 5.366 9.320 -2.480 1.00 7.97 C ATOM 852 CG ARG A 54 4.981 10.738 -2.192 1.00 9.62 C ATOM 853 CD ARG A 54 5.471 11.209 -0.792 1.00 12.20 C ATOM 854 NE ARG A 54 5.186 12.690 -0.689 1.00 18.23 N ATOM 855 CZ ARG A 54 6.080 13.678 -0.792 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.331 13.447 -1.116 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.753 14.911 -0.478 1.00 23.38 N ATOM 0 H ARG A 54 3.466 8.314 -4.245 1.00 8.53 H new ATOM 0 HA ARG A 54 6.073 9.627 -4.475 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.663 8.659 -1.973 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.348 9.132 -2.047 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.400 11.389 -2.959 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.897 10.836 -2.247 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.956 10.663 -0.001 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.537 11.014 -0.672 1.00 12.20 H new ATOM 0 HE ARG A 54 4.217 12.962 -0.525 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.643 12.493 -1.297 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.991 14.222 -1.187 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.810 15.121 -0.152 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.443 15.658 -0.560 1.00 23.38 H new ATOM 871 N THR A 55 7.145 7.201 -3.823 1.00 9.05 N ATOM 872 CA THR A 55 7.697 5.865 -4.034 1.00 9.03 C ATOM 873 C THR A 55 8.051 5.168 -2.717 1.00 8.15 C ATOM 874 O THR A 55 8.055 5.697 -1.621 1.00 5.91 O ATOM 875 CB THR A 55 8.831 5.710 -5.053 1.00 11.15 C ATOM 876 OG1 THR A 55 10.029 6.285 -4.578 1.00 11.95 O ATOM 877 CG2 THR A 55 8.419 6.263 -6.415 1.00 11.71 C ATOM 0 H THR A 55 7.828 7.881 -3.491 1.00 9.05 H new ATOM 0 HA THR A 55 6.859 5.359 -4.513 1.00 9.03 H new ATOM 0 HB THR A 55 9.028 4.646 -5.187 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.907 7.251 -4.467 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.241 6.141 -7.121 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.545 5.722 -6.778 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.176 7.321 -6.320 1.00 11.71 H new ATOM 885 N LEU A 56 8.201 3.847 -2.758 1.00 6.91 N ATOM 886 CA LEU A 56 8.514 2.951 -1.676 1.00 8.29 C ATOM 887 C LEU A 56 9.849 3.246 -0.926 1.00 8.05 C ATOM 888 O LEU A 56 9.924 3.325 0.289 1.00 10.17 O ATOM 889 CB LEU A 56 8.574 1.474 -2.298 1.00 6.60 C ATOM 890 CG LEU A 56 7.224 0.872 -2.680 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.385 -0.439 -3.424 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.333 0.684 -1.467 1.00 8.64 C ATOM 0 H LEU A 56 8.094 3.341 -3.637 1.00 6.91 H new ATOM 0 HA LEU A 56 7.738 3.076 -0.920 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.207 1.496 -3.185 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.057 0.814 -1.578 1.00 6.60 H new ATOM 0 HG LEU A 56 6.741 1.584 -3.350 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.402 -0.836 -3.678 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.956 -0.271 -4.337 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.912 -1.154 -2.792 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.381 0.254 -1.778 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.820 0.014 -0.758 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.157 1.649 -0.992 1.00 8.64 H new ATOM 904 N SER A 57 10.930 3.577 -1.712 1.00 8.92 N ATOM 905 CA SER A 57 12.160 4.128 -1.162 1.00 9.00 C ATOM 906 C SER A 57 12.061 5.454 -0.365 1.00 9.44 C ATOM 907 O SER A 57 12.674 5.613 0.652 1.00 10.91 O ATOM 908 CB SER A 57 13.127 4.339 -2.335 1.00 10.32 C ATOM 909 OG SER A 57 14.541 4.409 -2.027 1.00 13.59 O ATOM 0 H SER A 57 10.945 3.461 -2.725 1.00 8.92 H new ATOM 0 HA SER A 57 12.490 3.401 -0.419 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.977 3.527 -3.046 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.846 5.262 -2.842 1.00 10.32 H new ATOM 0 HG SER A 57 15.050 4.543 -2.854 1.00 13.59 H new ATOM 915 N ASP A 58 11.205 6.380 -0.886 1.00 9.11 N ATOM 916 CA ASP A 58 11.003 7.701 -0.267 1.00 7.91 C ATOM 917 C ASP A 58 10.434 7.602 1.181 1.00 9.12 C ATOM 918 O ASP A 58 10.744 8.332 2.085 1.00 8.61 O ATOM 919 CB ASP A 58 10.028 8.539 -1.150 1.00 8.41 C ATOM 920 CG ASP A 58 10.467 8.749 -2.559 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.667 8.957 -2.763 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.600 8.630 -3.457 1.00 11.70 O ATOM 0 H ASP A 58 10.652 6.226 -1.729 1.00 9.11 H new ATOM 0 HA ASP A 58 11.978 8.185 -0.201 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.056 8.045 -1.159 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.886 9.513 -0.682 1.00 8.41 H new ATOM 927 N TYR A 59 9.672 6.512 1.396 1.00 7.97 N ATOM 928 CA TYR A 59 8.949 6.283 2.667 1.00 8.45 C ATOM 929 C TYR A 59 9.705 5.283 3.497 1.00 10.98 C ATOM 930 O TYR A 59 9.283 4.820 4.598 1.00 12.95 O ATOM 931 CB TYR A 59 7.528 5.742 2.406 1.00 7.94 C ATOM 932 CG TYR A 59 6.605 6.909 2.148 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.463 7.912 3.083 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.710 6.866 1.029 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.485 8.935 2.982 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.789 7.907 0.924 1.00 6.52 C ATOM 937 CZ TYR A 59 4.652 8.887 1.887 1.00 6.76 C ATOM 938 OH TYR A 59 3.587 9.837 1.836 1.00 7.63 O ATOM 0 H TYR A 59 9.540 5.773 0.705 1.00 7.97 H new ATOM 0 HA TYR A 59 8.871 7.235 3.193 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.532 5.067 1.550 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.179 5.167 3.264 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.128 7.919 3.934 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.747 6.067 0.303 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.398 9.712 3.727 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.155 7.949 0.051 1.00 6.52 H new ATOM 0 HH TYR A 59 3.856 10.655 2.303 1.00 7.63 H new ATOM 948 N ASN A 60 10.900 4.885 3.034 1.00 12.38 N ATOM 949 CA ASN A 60 11.791 3.932 3.692 1.00 13.94 C ATOM 950 C ASN A 60 11.124 2.554 3.829 1.00 14.16 C ATOM 951 O ASN A 60 11.410 1.787 4.781 1.00 14.26 O ATOM 952 CB ASN A 60 12.284 4.316 5.100 1.00 19.23 C ATOM 953 CG ASN A 60 12.551 5.856 5.052 1.00 22.65 C ATOM 954 OD1 ASN A 60 11.807 6.666 5.656 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.690 6.255 4.475 1.00 24.09 N ATOM 0 H ASN A 60 11.282 5.235 2.156 1.00 12.38 H new ATOM 0 HA ASN A 60 12.657 3.926 3.030 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.538 4.072 5.856 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.191 3.770 5.359 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.969 7.235 4.521 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.280 5.579 3.989 1.00 24.09 H new ATOM 962 N ILE A 61 10.285 2.198 2.854 1.00 11.08 N ATOM 963 CA ILE A 61 9.754 0.905 2.742 1.00 11.78 C ATOM 964 C ILE A 61 10.757 -0.081 2.176 1.00 13.74 C ATOM 965 O ILE A 61 11.433 0.118 1.163 1.00 14.60 O ATOM 966 CB ILE A 61 8.388 0.858 1.985 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.418 1.787 2.676 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.811 -0.586 1.882 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.325 2.300 1.704 1.00 11.42 C ATOM 0 H ILE A 61 9.971 2.837 2.124 1.00 11.08 H new ATOM 0 HA ILE A 61 9.536 0.588 3.762 1.00 11.78 H new ATOM 0 HB ILE A 61 8.550 1.188 0.959 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.948 1.267 3.511 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.961 2.635 3.094 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.862 -0.561 1.347 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.514 -1.221 1.344 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.653 -0.987 2.883 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.646 2.965 2.238 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.794 2.843 0.883 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.765 1.453 1.307 1.00 11.42 H new ATOM 981 N GLN A 62 10.908 -1.214 2.815 1.00 13.97 N ATOM 982 CA GLN A 62 12.087 -2.093 2.728 1.00 15.52 C ATOM 983 C GLN A 62 11.615 -3.475 2.947 1.00 13.94 C ATOM 984 O GLN A 62 10.503 -3.683 3.383 1.00 12.15 O ATOM 985 CB GLN A 62 13.214 -1.735 3.759 1.00 19.53 C ATOM 986 CG GLN A 62 12.759 -1.842 5.252 1.00 26.38 C ATOM 987 CD GLN A 62 13.868 -1.417 6.209 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.612 -0.431 5.948 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.980 -2.054 7.438 1.00 32.71 N ATOM 0 H GLN A 62 10.191 -1.580 3.442 1.00 13.97 H new ATOM 0 HA GLN A 62 12.543 -1.967 1.746 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.064 -2.398 3.599 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.561 -0.720 3.566 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.881 -1.216 5.411 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.463 -2.868 5.470 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.382 -2.851 7.656 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.660 -1.725 8.123 1.00 32.71 H new ATOM 998 N LYS A 63 12.432 -4.494 2.518 1.00 11.73 N ATOM 999 CA LYS A 63 12.059 -5.860 2.388 1.00 11.97 C ATOM 1000 C LYS A 63 11.560 -6.516 3.677 1.00 10.41 C ATOM 1001 O LYS A 63 12.028 -6.330 4.823 1.00 9.59 O ATOM 1002 CB LYS A 63 13.236 -6.655 1.805 1.00 13.73 C ATOM 1003 CG LYS A 63 14.398 -6.742 2.818 1.00 16.98 C ATOM 1004 CD LYS A 63 15.575 -7.511 2.228 1.00 20.19 C ATOM 1005 CE LYS A 63 16.633 -8.008 3.235 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.392 -6.841 3.742 1.00 25.97 N ATOM 0 H LYS A 63 13.403 -4.329 2.253 1.00 11.73 H new ATOM 0 HA LYS A 63 11.203 -5.877 1.713 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.905 -7.659 1.538 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.583 -6.179 0.888 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.718 -5.738 3.099 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.056 -7.234 3.729 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.185 -8.373 1.686 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.070 -6.872 1.497 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.152 -8.533 4.060 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.307 -8.718 2.755 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.109 -7.163 4.423 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.860 -6.359 2.948 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.740 -6.181 4.212 1.00 25.97 H new ATOM 1020 N GLU A 64 10.484 -7.348 3.550 1.00 10.04 N ATOM 1021 CA GLU A 64 10.008 -8.151 4.640 1.00 10.94 C ATOM 1022 C GLU A 64 9.313 -7.291 5.675 1.00 9.74 C ATOM 1023 O GLU A 64 9.344 -7.577 6.877 1.00 9.42 O ATOM 1024 CB GLU A 64 10.972 -9.213 5.200 1.00 18.31 C ATOM 1025 CG GLU A 64 11.614 -10.120 4.162 1.00 24.16 C ATOM 1026 CD GLU A 64 12.557 -11.081 4.757 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.377 -11.462 5.934 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.459 -11.608 4.036 1.00 32.61 O ATOM 0 H GLU A 64 9.951 -7.456 2.687 1.00 10.04 H new ATOM 0 HA GLU A 64 9.256 -8.811 4.207 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.762 -8.706 5.754 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.429 -9.833 5.914 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.835 -10.664 3.628 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.138 -9.510 3.426 1.00 24.16 H new ATOM 1035 N SER A 65 8.669 -6.244 5.085 1.00 6.85 N ATOM 1036 CA SER A 65 7.928 -5.211 5.828 1.00 6.90 C ATOM 1037 C SER A 65 6.463 -5.260 5.488 1.00 4.72 C ATOM 1038 O SER A 65 6.049 -5.593 4.377 1.00 3.91 O ATOM 1039 CB SER A 65 8.498 -3.783 5.571 1.00 7.28 C ATOM 1040 OG SER A 65 7.925 -2.834 6.400 1.00 10.56 O ATOM 0 H SER A 65 8.656 -6.102 4.075 1.00 6.85 H new ATOM 0 HA SER A 65 8.052 -5.427 6.889 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.577 -3.792 5.723 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.325 -3.506 4.531 1.00 7.28 H new ATOM 0 HG SER A 65 8.206 -1.939 6.116 1.00 10.56 H new ATOM 1046 N THR A 66 5.629 -4.932 6.430 1.00 4.48 N ATOM 1047 CA THR A 66 4.156 -5.150 6.408 1.00 3.80 C ATOM 1048 C THR A 66 3.603 -3.837 6.471 1.00 4.60 C ATOM 1049 O THR A 66 3.880 -3.034 7.367 1.00 5.33 O ATOM 1050 CB THR A 66 3.527 -6.040 7.516 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.158 -7.342 7.500 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.958 -6.245 7.325 1.00 3.40 C ATOM 0 H THR A 66 5.942 -4.481 7.290 1.00 4.48 H new ATOM 0 HA THR A 66 3.927 -5.725 5.511 1.00 3.80 H new ATOM 0 HB THR A 66 3.688 -5.528 8.464 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.764 -7.905 8.199 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.573 -6.874 8.127 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.459 -5.277 7.352 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.768 -6.724 6.365 1.00 3.40 H new ATOM 1060 N LEU A 67 2.724 -3.469 5.500 1.00 4.17 N ATOM 1061 CA LEU A 67 2.049 -2.207 5.416 1.00 3.85 C ATOM 1062 C LEU A 67 0.642 -2.353 5.822 1.00 3.80 C ATOM 1063 O LEU A 67 0.034 -3.358 5.473 1.00 5.54 O ATOM 1064 CB LEU A 67 2.012 -1.669 3.952 1.00 7.18 C ATOM 1065 CG LEU A 67 3.403 -1.802 3.329 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.277 -1.212 1.919 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.555 -1.138 4.102 1.00 11.66 C ATOM 0 H LEU A 67 2.476 -4.095 4.734 1.00 4.17 H new ATOM 0 HA LEU A 67 2.597 -1.524 6.066 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.283 -2.228 3.365 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.695 -0.626 3.944 1.00 7.18 H new ATOM 0 HG LEU A 67 3.685 -2.855 3.340 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.240 -1.274 1.411 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.532 -1.774 1.355 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.969 -0.169 1.987 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.491 -1.297 3.567 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.365 -0.068 4.191 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.626 -1.577 5.097 1.00 11.66 H new ATOM 1079 N HIS A 68 0.025 -1.387 6.509 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.342 -1.491 6.880 1.00 4.17 C ATOM 1081 C HIS A 68 -2.229 -0.914 5.844 1.00 5.32 C ATOM 1082 O HIS A 68 -2.045 0.200 5.457 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.617 -0.629 8.182 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.650 -1.002 9.301 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.676 -0.563 9.289 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.729 -1.948 10.242 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.352 -1.255 10.246 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.486 -2.036 10.904 1.00 16.30 N ATOM 0 H HIS A 68 0.479 -0.525 6.811 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.542 -2.552 7.027 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.516 0.431 7.948 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.643 -0.786 8.516 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.068 0.149 8.673 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.601 -2.549 10.453 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.412 -1.186 10.442 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.247 -1.686 5.431 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.213 -1.228 4.424 1.00 3.97 C ATOM 1098 C LEU A 69 -5.549 -1.040 5.099 1.00 5.07 C ATOM 1099 O LEU A 69 -6.082 -1.938 5.771 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.319 -2.212 3.240 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.671 -2.473 2.487 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.076 -1.366 1.478 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.609 -3.830 1.613 1.00 9.96 C ATOM 0 H LEU A 69 -3.421 -2.629 5.779 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.873 -0.281 4.004 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.602 -1.878 2.490 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.972 -3.179 3.604 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.399 -2.518 3.297 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.022 -1.632 1.006 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.187 -0.418 2.004 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.304 -1.270 0.714 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.562 -3.980 1.105 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.812 -3.750 0.873 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.411 -4.677 2.270 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.099 0.151 4.820 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.285 0.690 5.588 1.00 6.26 C ATOM 1117 C VAL A 70 -8.175 1.416 4.565 1.00 9.22 C ATOM 1118 O VAL A 70 -7.724 2.117 3.730 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.866 1.822 6.614 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.076 2.521 7.269 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.938 1.276 7.718 1.00 8.54 C ATOM 0 H VAL A 70 -5.763 0.770 4.082 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.755 -0.141 6.114 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.329 2.562 6.021 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.724 3.286 7.961 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.690 2.985 6.497 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.670 1.786 7.812 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.673 2.082 8.402 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.452 0.488 8.268 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.033 0.872 7.265 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.539 1.194 4.636 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.662 1.866 4.026 1.00 16.06 C ATOM 1133 C LEU A 71 -10.481 3.369 3.814 1.00 18.09 C ATOM 1134 O LEU A 71 -10.399 4.114 4.790 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.070 1.540 4.638 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.258 1.933 3.849 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.273 1.180 2.432 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.501 1.674 4.616 1.00 19.57 C ATOM 0 H LEU A 71 -9.878 0.424 5.213 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.661 1.410 3.036 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.121 0.465 4.813 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.136 2.025 5.612 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.206 3.004 3.652 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.155 1.483 1.868 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.376 1.442 1.871 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.298 0.102 2.593 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.365 1.969 4.020 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.569 0.612 4.852 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.485 2.250 5.541 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.410 3.907 2.613 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.290 5.257 2.189 1.00 25.83 C ATOM 1152 C ARG A 72 -11.733 5.670 1.730 1.00 27.74 C ATOM 1153 O ARG A 72 -12.337 4.833 1.062 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.248 5.705 1.102 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.190 7.198 0.667 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.147 7.525 -0.428 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.216 8.999 -0.710 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.726 9.664 -1.702 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.942 9.107 -2.644 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.924 10.978 -1.683 1.00 35.02 N ATOM 0 H ARG A 72 -10.442 3.294 1.798 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.861 5.764 3.053 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.258 5.432 1.467 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.433 5.111 0.207 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.176 7.494 0.307 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.975 7.807 1.545 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.147 7.247 -0.096 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.353 6.954 -1.333 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.722 9.553 -0.019 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.710 8.115 -2.593 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.580 9.677 -3.408 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.439 11.405 -0.913 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.561 11.559 -2.439 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.267 6.897 2.084 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.627 7.272 1.658 1.00 30.76 C ATOM 1176 C LEU A 73 -13.567 8.496 0.875 1.00 32.18 C ATOM 1177 O LEU A 73 -12.517 9.163 0.747 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.622 7.430 2.826 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.865 6.177 3.568 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.527 6.405 4.917 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.635 5.088 2.774 1.00 29.11 C ATOM 0 H LEU A 73 -11.781 7.600 2.640 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.008 6.450 1.052 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.243 8.184 3.516 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.570 7.802 2.437 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.860 5.788 3.734 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.679 5.447 5.414 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.888 7.036 5.534 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.490 6.895 4.772 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.766 4.205 3.400 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.612 5.473 2.481 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.069 4.819 1.882 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.673 8.893 0.193 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.773 10.255 -0.387 1.00 35.33 C ATOM 1195 C ARG A 74 -14.550 11.417 0.635 1.00 36.22 C ATOM 1196 O ARG A 74 -14.883 11.218 1.808 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.106 10.463 -1.149 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.282 9.510 -2.271 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.169 9.416 -3.298 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.616 8.654 -4.470 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.028 8.544 -5.666 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.962 9.292 -5.948 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.586 7.757 -6.581 1.00 41.93 N ATOM 0 H ARG A 74 -15.490 8.303 0.034 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.943 10.307 -1.092 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.938 10.355 -0.453 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.143 11.482 -1.535 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.432 8.517 -1.847 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.200 9.775 -2.795 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.861 10.416 -3.603 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.297 8.935 -2.855 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.490 8.141 -4.357 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.598 9.944 -5.253 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.509 9.212 -6.859 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.445 7.252 -6.364 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.155 7.658 -7.500 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.935 12.517 0.240 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.706 13.585 1.201 1.00 36.07 C ATOM 1219 C GLY A 75 -12.382 13.581 1.938 1.00 36.16 C ATOM 1220 O GLY A 75 -12.228 14.460 2.765 1.00 36.26 O ATOM 0 H GLY A 75 -13.595 12.694 -0.705 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.798 14.536 0.677 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.505 13.550 1.942 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.438 12.703 1.643 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.238 12.334 2.362 1.00 36.19 C ATOM 1226 C GLY A 76 -9.216 11.709 1.483 1.00 36.20 C ATOM 1227 O GLY A 76 -8.859 10.509 1.655 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.662 12.375 0.597 1.00 0.00 O ATOM 0 H GLY A 76 -11.509 12.165 0.780 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.814 13.221 2.833 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -10.497 11.641 3.162 1.00 36.19 H new TER 1232 GLY A 76