USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.408 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.444 K(o=0.85,f=0) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0698 (180deg=-0.508) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.14 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 0.68 (180deg=-0.0732) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.0558 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.815 (180deg=0.644) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.875 K(o=-0.88,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.545 (180deg=0.516) USER MOD Single : A 40 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.35) USER MOD Single : A 41 GLN : amide:sc= 0.833 K(o=0.83,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 55 THR OG1 : rot -170:sc= 0.188 USER MOD Single : A 57 SER OG : rot 72:sc= 0.468 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.0395 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.934 K(o=-0.93,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 140:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0489 K(o=0.049,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.465 3.861 -5.869 1.00 9.67 N ATOM 2 CA MET A 1 -11.410 4.395 -4.490 1.00 10.38 C ATOM 3 C MET A 1 -10.021 4.816 -4.153 1.00 9.62 C ATOM 4 O MET A 1 -9.000 4.349 -4.655 1.00 9.62 O ATOM 5 CB MET A 1 -11.888 3.289 -3.534 1.00 13.77 C ATOM 6 CG MET A 1 -11.119 1.975 -3.385 1.00 16.29 C ATOM 7 SD MET A 1 -11.695 0.966 -1.986 1.00 17.17 S ATOM 8 CE MET A 1 -10.025 0.514 -1.433 1.00 16.11 C ATOM 0 H1 MET A 1 -12.391 3.418 -6.033 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.328 4.637 -6.548 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.715 3.152 -5.997 1.00 9.67 H new ATOM 0 HA MET A 1 -12.052 5.271 -4.398 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.951 3.734 -2.541 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.904 3.030 -3.832 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.215 1.398 -4.305 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.059 2.194 -3.255 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.071 -0.408 -0.853 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.382 0.365 -2.301 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.618 1.313 -0.813 1.00 16.11 H new ATOM 20 N GLN A 2 -9.952 5.744 -3.182 1.00 9.27 N ATOM 21 CA GLN A 2 -8.639 6.211 -2.862 1.00 9.07 C ATOM 22 C GLN A 2 -8.208 5.311 -1.755 1.00 8.72 C ATOM 23 O GLN A 2 -8.982 4.940 -0.874 1.00 8.22 O ATOM 24 CB GLN A 2 -8.561 7.695 -2.467 1.00 14.46 C ATOM 25 CG GLN A 2 -9.219 8.724 -3.389 1.00 17.01 C ATOM 26 CD GLN A 2 -9.183 10.169 -2.912 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.040 10.653 -2.174 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.146 10.947 -3.321 1.00 19.49 N ATOM 0 H GLN A 2 -10.730 6.143 -2.658 1.00 9.27 H new ATOM 0 HA GLN A 2 -7.988 6.172 -3.735 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.007 7.800 -1.478 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.508 7.959 -2.371 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.733 8.672 -4.363 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.260 8.437 -3.536 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -7.428 10.559 -3.933 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.086 11.918 -3.016 1.00 19.49 H new ATOM 37 N ILE A 3 -6.884 5.092 -1.660 1.00 5.87 N ATOM 38 CA ILE A 3 -6.216 4.628 -0.484 1.00 5.07 C ATOM 39 C ILE A 3 -5.086 5.540 -0.151 1.00 4.01 C ATOM 40 O ILE A 3 -4.640 6.294 -1.015 1.00 4.61 O ATOM 41 CB ILE A 3 -5.764 3.198 -0.432 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.865 2.887 -1.641 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.027 2.320 -0.397 1.00 5.58 C ATOM 44 CD1 ILE A 3 -3.926 1.700 -1.434 1.00 10.83 C ATOM 0 H ILE A 3 -6.248 5.246 -2.443 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.005 4.650 0.268 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.165 2.997 0.456 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.496 2.690 -2.508 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.270 3.770 -1.874 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.739 1.269 -0.359 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.617 2.567 0.485 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.621 2.501 -1.293 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.328 1.548 -2.332 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.267 1.900 -0.589 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.512 0.803 -1.233 1.00 10.83 H new ATOM 56 N PHE A 4 -4.645 5.614 1.118 1.00 4.55 N ATOM 57 CA PHE A 4 -3.497 6.379 1.495 1.00 4.68 C ATOM 58 C PHE A 4 -2.364 5.454 1.778 1.00 5.30 C ATOM 59 O PHE A 4 -2.593 4.298 2.131 1.00 5.58 O ATOM 60 CB PHE A 4 -3.788 7.361 2.643 1.00 4.83 C ATOM 61 CG PHE A 4 -5.014 8.193 2.488 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.929 9.212 1.568 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.205 8.056 3.162 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.036 9.985 1.312 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.254 8.934 3.026 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.227 9.828 1.981 1.00 8.90 C ATOM 0 H PHE A 4 -5.095 5.133 1.897 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.210 7.020 0.662 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.872 6.793 3.570 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.932 8.026 2.753 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.000 9.403 1.051 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.322 7.217 3.832 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.968 10.749 0.552 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.079 8.922 3.723 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.107 10.385 1.697 1.00 8.90 H new ATOM 76 N VAL A 5 -1.092 5.887 1.723 1.00 4.44 N ATOM 77 CA VAL A 5 -0.010 4.982 1.959 1.00 3.87 C ATOM 78 C VAL A 5 0.965 5.927 2.572 1.00 4.93 C ATOM 79 O VAL A 5 1.394 6.920 1.986 1.00 6.84 O ATOM 80 CB VAL A 5 0.600 4.477 0.685 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.861 3.676 1.047 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.479 3.681 -0.070 1.00 9.13 C ATOM 0 H VAL A 5 -0.815 6.847 1.519 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.299 4.100 2.531 1.00 3.87 H new ATOM 0 HB VAL A 5 0.925 5.271 0.013 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.325 3.297 0.137 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.565 4.323 1.571 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.589 2.840 1.691 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.064 3.300 -1.003 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.813 2.846 0.546 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.325 4.332 -0.288 1.00 9.13 H new ATOM 92 N LYS A 6 1.372 5.638 3.820 1.00 6.04 N ATOM 93 CA LYS A 6 2.272 6.392 4.637 1.00 6.12 C ATOM 94 C LYS A 6 3.623 5.809 4.870 1.00 6.57 C ATOM 95 O LYS A 6 3.740 4.671 5.321 1.00 5.76 O ATOM 96 CB LYS A 6 1.618 6.650 6.005 1.00 7.45 C ATOM 97 CG LYS A 6 2.442 7.531 6.947 1.00 11.12 C ATOM 98 CD LYS A 6 1.599 8.175 8.049 1.00 14.54 C ATOM 99 CE LYS A 6 1.286 7.224 9.207 1.00 18.84 C ATOM 100 NZ LYS A 6 0.679 7.863 10.396 1.00 20.55 N ATOM 0 H LYS A 6 1.040 4.801 4.299 1.00 6.04 H new ATOM 0 HA LYS A 6 2.451 7.301 4.062 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.647 7.119 5.846 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.434 5.692 6.492 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.229 6.930 7.403 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.933 8.313 6.368 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.126 9.047 8.437 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.663 8.533 7.619 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.612 6.447 8.847 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.209 6.729 9.510 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.503 7.143 11.125 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.327 8.585 10.771 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.220 8.311 10.128 1.00 20.55 H new ATOM 114 N THR A 7 4.662 6.571 4.482 1.00 7.41 N ATOM 115 CA THR A 7 6.015 6.113 4.409 1.00 7.48 C ATOM 116 C THR A 7 6.659 5.934 5.741 1.00 8.75 C ATOM 117 O THR A 7 6.110 6.180 6.813 1.00 8.58 O ATOM 118 CB THR A 7 6.899 6.958 3.540 1.00 9.61 C ATOM 119 OG1 THR A 7 7.045 8.222 4.169 1.00 11.78 O ATOM 120 CG2 THR A 7 6.359 7.180 2.117 1.00 9.17 C ATOM 0 H THR A 7 4.554 7.547 4.208 1.00 7.41 H new ATOM 0 HA THR A 7 5.918 5.134 3.940 1.00 7.48 H new ATOM 0 HB THR A 7 7.844 6.426 3.430 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.621 8.795 3.622 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.057 7.800 1.555 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.245 6.218 1.617 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.391 7.679 2.169 1.00 9.17 H new ATOM 128 N LEU A 8 7.943 5.536 5.707 1.00 9.84 N ATOM 129 CA LEU A 8 8.932 5.276 6.708 1.00 14.15 C ATOM 130 C LEU A 8 9.019 6.452 7.619 1.00 17.37 C ATOM 131 O LEU A 8 8.886 6.398 8.840 1.00 17.01 O ATOM 132 CB LEU A 8 10.268 4.742 6.165 1.00 16.63 C ATOM 133 CG LEU A 8 11.187 4.176 7.261 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.759 2.796 7.789 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.569 4.033 6.600 1.00 19.31 C ATOM 0 H LEU A 8 8.359 5.366 4.791 1.00 9.84 H new ATOM 0 HA LEU A 8 8.610 4.426 7.310 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.068 3.963 5.430 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.788 5.546 5.644 1.00 16.63 H new ATOM 0 HG LEU A 8 11.163 4.846 8.121 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.458 2.468 8.558 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.758 2.864 8.214 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.758 2.077 6.969 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.279 3.633 7.324 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.497 3.355 5.750 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.911 5.009 6.257 1.00 19.31 H new ATOM 147 N THR A 9 9.293 7.671 7.121 1.00 18.33 N ATOM 148 CA THR A 9 9.298 8.848 7.933 1.00 19.24 C ATOM 149 C THR A 9 7.924 9.281 8.316 1.00 19.48 C ATOM 150 O THR A 9 7.689 9.365 9.520 1.00 23.14 O ATOM 151 CB THR A 9 10.101 9.950 7.309 1.00 18.97 C ATOM 152 OG1 THR A 9 9.631 10.260 6.005 1.00 20.24 O ATOM 153 CG2 THR A 9 11.576 9.516 7.248 1.00 19.70 C ATOM 0 H THR A 9 9.514 7.842 6.140 1.00 18.33 H new ATOM 0 HA THR A 9 9.798 8.588 8.866 1.00 19.24 H new ATOM 0 HB THR A 9 9.997 10.848 7.918 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.173 10.983 5.625 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.170 10.310 6.796 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.940 9.320 8.257 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.664 8.610 6.648 1.00 19.70 H new ATOM 161 N GLY A 10 7.001 9.483 7.359 1.00 19.43 N ATOM 162 CA GLY A 10 5.638 9.858 7.577 1.00 18.74 C ATOM 163 C GLY A 10 5.090 10.725 6.496 1.00 17.62 C ATOM 164 O GLY A 10 4.368 11.637 6.897 1.00 19.74 O ATOM 0 H GLY A 10 7.222 9.377 6.369 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.028 8.958 7.657 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.559 10.382 8.530 1.00 18.74 H new ATOM 168 N LYS A 11 5.254 10.492 5.182 1.00 13.56 N ATOM 169 CA LYS A 11 4.781 11.179 4.021 1.00 11.91 C ATOM 170 C LYS A 11 3.552 10.426 3.647 1.00 10.18 C ATOM 171 O LYS A 11 3.671 9.335 3.090 1.00 9.10 O ATOM 172 CB LYS A 11 5.759 11.240 2.835 1.00 13.43 C ATOM 173 CG LYS A 11 5.201 11.977 1.616 1.00 16.69 C ATOM 174 CD LYS A 11 6.064 12.013 0.353 1.00 17.92 C ATOM 175 CE LYS A 11 5.521 12.936 -0.739 1.00 20.81 C ATOM 176 NZ LYS A 11 6.457 12.892 -1.885 1.00 21.93 N ATOM 0 H LYS A 11 5.812 9.687 4.896 1.00 13.56 H new ATOM 0 HA LYS A 11 4.624 12.232 4.255 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.677 11.732 3.157 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.027 10.224 2.544 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.245 11.522 1.357 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.994 13.006 1.911 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.070 12.335 0.621 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.149 11.003 -0.047 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.526 12.616 -1.048 1.00 20.81 H new ATOM 0 HE3 LYS A 11 5.426 13.955 -0.364 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.424 13.797 -2.395 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.423 12.726 -1.538 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.183 12.122 -2.528 1.00 21.93 H new ATOM 190 N THR A 12 2.332 10.892 3.968 1.00 9.63 N ATOM 191 CA THR A 12 1.078 10.255 3.708 1.00 9.85 C ATOM 192 C THR A 12 0.722 10.597 2.302 1.00 11.66 C ATOM 193 O THR A 12 0.209 11.676 2.010 1.00 12.33 O ATOM 194 CB THR A 12 -0.005 10.678 4.656 1.00 10.85 C ATOM 195 OG1 THR A 12 0.426 10.521 5.999 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.262 9.815 4.452 1.00 9.63 C ATOM 0 H THR A 12 2.215 11.785 4.447 1.00 9.63 H new ATOM 0 HA THR A 12 1.173 9.179 3.854 1.00 9.85 H new ATOM 0 HB THR A 12 -0.234 11.725 4.456 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.289 10.802 6.607 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.039 10.134 5.147 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.620 9.930 3.429 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.019 8.768 4.635 1.00 9.63 H new ATOM 204 N ILE A 13 0.914 9.668 1.349 1.00 10.42 N ATOM 205 CA ILE A 13 0.625 9.754 -0.049 1.00 11.84 C ATOM 206 C ILE A 13 -0.769 9.256 -0.220 1.00 10.55 C ATOM 207 O ILE A 13 -1.408 8.772 0.713 1.00 11.92 O ATOM 208 CB ILE A 13 1.663 9.171 -0.961 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.597 7.639 -1.083 1.00 14.87 C ATOM 210 CG2 ILE A 13 3.051 9.709 -0.570 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.175 6.974 -2.331 1.00 16.46 C ATOM 0 H ILE A 13 1.315 8.761 1.586 1.00 10.42 H new ATOM 0 HA ILE A 13 0.680 10.789 -0.386 1.00 11.84 H new ATOM 0 HB ILE A 13 1.447 9.505 -1.976 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.108 7.217 -0.218 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.549 7.347 -1.009 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.805 9.285 -1.233 1.00 17.08 H new ATOM 0 HG22 ILE A 13 3.059 10.795 -0.659 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.273 9.428 0.459 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.048 5.894 -2.259 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.654 7.343 -3.214 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.236 7.210 -2.411 1.00 16.46 H new ATOM 223 N THR A 14 -1.358 9.422 -1.418 1.00 9.39 N ATOM 224 CA THR A 14 -2.645 9.000 -1.878 1.00 9.63 C ATOM 225 C THR A 14 -2.393 8.132 -3.062 1.00 11.20 C ATOM 226 O THR A 14 -1.388 8.326 -3.744 1.00 11.63 O ATOM 227 CB THR A 14 -3.501 10.150 -2.320 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.588 11.033 -1.211 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.899 9.560 -2.567 1.00 11.66 C ATOM 0 H THR A 14 -0.862 9.918 -2.158 1.00 9.39 H new ATOM 0 HA THR A 14 -3.171 8.495 -1.068 1.00 9.63 H new ATOM 0 HB THR A 14 -3.115 10.660 -3.203 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.133 10.622 -0.508 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.575 10.350 -2.893 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.839 8.792 -3.339 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.276 9.118 -1.644 1.00 11.66 H new ATOM 237 N LEU A 15 -3.218 7.122 -3.389 1.00 8.29 N ATOM 238 CA LEU A 15 -3.165 6.334 -4.581 1.00 9.03 C ATOM 239 C LEU A 15 -4.587 6.066 -4.935 1.00 8.59 C ATOM 240 O LEU A 15 -5.425 5.857 -4.059 1.00 7.79 O ATOM 241 CB LEU A 15 -2.568 4.932 -4.371 1.00 11.08 C ATOM 242 CG LEU A 15 -1.033 4.867 -4.302 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.611 3.441 -3.910 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.215 5.231 -5.552 1.00 15.88 C ATOM 0 H LEU A 15 -3.979 6.836 -2.773 1.00 8.29 H new ATOM 0 HA LEU A 15 -2.563 6.873 -5.312 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -2.973 4.519 -3.447 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -2.905 4.288 -5.183 1.00 11.08 H new ATOM 0 HG LEU A 15 -0.802 5.647 -3.576 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.476 3.385 -3.858 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.034 3.191 -2.937 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -0.976 2.735 -4.656 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.848 5.133 -5.332 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.480 4.560 -6.369 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -0.432 6.259 -5.842 1.00 15.88 H new ATOM 256 N GLU A 16 -4.905 6.012 -6.240 1.00 11.04 N ATOM 257 CA GLU A 16 -6.226 5.807 -6.749 1.00 11.50 C ATOM 258 C GLU A 16 -6.398 4.433 -7.299 1.00 10.13 C ATOM 259 O GLU A 16 -6.050 4.093 -8.429 1.00 9.83 O ATOM 260 CB GLU A 16 -6.587 6.856 -7.814 1.00 17.22 C ATOM 261 CG GLU A 16 -5.953 8.222 -7.546 1.00 23.33 C ATOM 262 CD GLU A 16 -4.581 8.327 -8.196 1.00 26.99 C ATOM 263 OE1 GLU A 16 -4.230 7.488 -9.069 1.00 28.90 O ATOM 264 OE2 GLU A 16 -3.947 9.384 -7.934 1.00 28.86 O ATOM 0 H GLU A 16 -4.207 6.116 -6.977 1.00 11.04 H new ATOM 0 HA GLU A 16 -6.909 5.922 -5.908 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.266 6.498 -8.792 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.671 6.966 -7.855 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -6.602 9.009 -7.930 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -5.863 8.380 -6.471 1.00 23.33 H new ATOM 271 N VAL A 17 -7.108 3.590 -6.528 1.00 8.99 N ATOM 272 CA VAL A 17 -7.112 2.164 -6.637 1.00 8.85 C ATOM 273 C VAL A 17 -8.448 1.568 -6.918 1.00 8.04 C ATOM 274 O VAL A 17 -9.393 1.935 -6.222 1.00 8.99 O ATOM 275 CB VAL A 17 -6.554 1.334 -5.519 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.099 1.755 -5.255 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.296 1.421 -4.175 1.00 10.54 C ATOM 0 H VAL A 17 -7.717 3.926 -5.782 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.419 2.106 -7.477 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.661 0.307 -5.868 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.688 1.155 -4.443 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.506 1.600 -6.157 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.070 2.809 -4.978 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.802 0.780 -3.445 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.285 2.451 -3.819 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.327 1.094 -4.307 1.00 10.54 H new ATOM 287 N GLU A 18 -8.598 0.702 -7.936 1.00 7.29 N ATOM 288 CA GLU A 18 -9.860 0.036 -8.036 1.00 7.08 C ATOM 289 C GLU A 18 -9.704 -1.187 -7.200 1.00 6.45 C ATOM 290 O GLU A 18 -8.669 -1.845 -7.294 1.00 5.28 O ATOM 291 CB GLU A 18 -10.024 -0.310 -9.526 1.00 10.28 C ATOM 292 CG GLU A 18 -10.232 0.915 -10.419 1.00 12.65 C ATOM 293 CD GLU A 18 -10.140 0.613 -11.907 1.00 14.15 C ATOM 294 OE1 GLU A 18 -10.763 -0.378 -12.372 1.00 14.33 O ATOM 295 OE2 GLU A 18 -9.426 1.386 -12.601 1.00 18.17 O ATOM 0 H GLU A 18 -7.901 0.473 -8.644 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.727 0.607 -7.704 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.140 -0.850 -9.865 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.873 -0.983 -9.643 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.210 1.347 -10.205 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -9.488 1.669 -10.164 1.00 12.65 H new ATOM 302 N PRO A 19 -10.634 -1.548 -6.366 1.00 7.24 N ATOM 303 CA PRO A 19 -10.339 -2.617 -5.457 1.00 7.07 C ATOM 304 C PRO A 19 -10.336 -3.969 -6.083 1.00 6.65 C ATOM 305 O PRO A 19 -9.952 -4.946 -5.442 1.00 6.37 O ATOM 306 CB PRO A 19 -11.426 -2.455 -4.398 1.00 7.61 C ATOM 307 CG PRO A 19 -12.639 -1.841 -5.116 1.00 8.16 C ATOM 308 CD PRO A 19 -11.936 -0.939 -6.144 1.00 7.49 C ATOM 0 HA PRO A 19 -9.326 -2.555 -5.059 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.683 -3.417 -3.954 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.086 -1.810 -3.587 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.266 -2.597 -5.589 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.278 -1.275 -4.438 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -12.506 -0.882 -7.071 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -11.835 0.079 -5.769 1.00 7.49 H new ATOM 316 N SER A 20 -10.606 -4.109 -7.393 1.00 6.80 N ATOM 317 CA SER A 20 -10.413 -5.324 -8.122 1.00 6.28 C ATOM 318 C SER A 20 -9.026 -5.796 -8.397 1.00 8.45 C ATOM 319 O SER A 20 -8.814 -6.998 -8.550 1.00 7.26 O ATOM 320 CB SER A 20 -11.231 -5.427 -9.420 1.00 8.57 C ATOM 321 OG SER A 20 -12.605 -5.483 -9.068 1.00 11.13 O ATOM 0 H SER A 20 -10.972 -3.348 -7.966 1.00 6.80 H new ATOM 0 HA SER A 20 -10.798 -6.005 -7.363 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.037 -4.568 -10.062 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.945 -6.316 -9.982 1.00 8.57 H new ATOM 0 HG SER A 20 -13.149 -5.547 -9.881 1.00 11.13 H new ATOM 327 N ASP A 21 -8.020 -4.906 -8.461 1.00 7.50 N ATOM 328 CA ASP A 21 -6.665 -5.288 -8.707 1.00 7.70 C ATOM 329 C ASP A 21 -5.926 -5.773 -7.508 1.00 7.08 C ATOM 330 O ASP A 21 -6.452 -5.778 -6.396 1.00 8.11 O ATOM 331 CB ASP A 21 -5.970 -4.005 -9.196 1.00 11.00 C ATOM 332 CG ASP A 21 -6.411 -3.776 -10.634 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.097 -4.638 -11.499 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.119 -2.765 -10.885 1.00 18.03 O ATOM 0 H ASP A 21 -8.151 -3.902 -8.340 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.665 -6.118 -9.413 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.244 -3.156 -8.570 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -4.886 -4.108 -9.137 1.00 11.00 H new ATOM 339 N THR A 22 -4.673 -6.211 -7.723 1.00 5.37 N ATOM 340 CA THR A 22 -3.686 -6.609 -6.768 1.00 6.01 C ATOM 341 C THR A 22 -2.902 -5.642 -5.950 1.00 8.01 C ATOM 342 O THR A 22 -2.613 -4.516 -6.352 1.00 8.11 O ATOM 343 CB THR A 22 -2.729 -7.607 -7.351 1.00 8.92 C ATOM 344 OG1 THR A 22 -1.857 -6.994 -8.290 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.396 -8.810 -8.039 1.00 9.65 C ATOM 0 H THR A 22 -4.315 -6.294 -8.674 1.00 5.37 H new ATOM 0 HA THR A 22 -4.382 -6.994 -6.023 1.00 6.01 H new ATOM 0 HB THR A 22 -2.180 -7.984 -6.488 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.243 -7.666 -8.653 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.628 -9.477 -8.430 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.010 -9.348 -7.317 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.023 -8.459 -8.859 1.00 9.65 H new ATOM 353 N ILE A 23 -2.357 -6.052 -4.791 1.00 8.32 N ATOM 354 CA ILE A 23 -1.475 -5.311 -3.943 1.00 9.92 C ATOM 355 C ILE A 23 -0.095 -5.187 -4.492 1.00 10.01 C ATOM 356 O ILE A 23 0.646 -4.224 -4.303 1.00 8.71 O ATOM 357 CB ILE A 23 -1.471 -5.978 -2.599 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.846 -5.993 -1.910 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.426 -5.324 -1.679 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.613 -4.683 -1.741 1.00 12.30 C ATOM 0 H ILE A 23 -2.551 -6.981 -4.417 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.839 -4.286 -3.867 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.208 -7.020 -2.781 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.485 -6.677 -2.469 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.710 -6.423 -0.918 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.435 -5.819 -0.708 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.563 -5.421 -2.126 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.664 -4.268 -1.550 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.559 -4.878 -1.237 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.021 -3.989 -1.145 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.807 -4.246 -2.721 1.00 12.30 H new ATOM 372 N GLU A 24 0.364 -6.153 -5.308 1.00 9.54 N ATOM 373 CA GLU A 24 1.514 -5.927 -6.129 1.00 11.81 C ATOM 374 C GLU A 24 1.423 -4.690 -6.953 1.00 11.14 C ATOM 375 O GLU A 24 2.378 -3.942 -7.156 1.00 10.62 O ATOM 376 CB GLU A 24 1.735 -7.161 -7.020 1.00 19.24 C ATOM 377 CG GLU A 24 2.835 -7.032 -8.076 1.00 27.76 C ATOM 378 CD GLU A 24 3.175 -8.410 -8.626 1.00 32.92 C ATOM 379 OE1 GLU A 24 2.479 -8.966 -9.517 1.00 34.80 O ATOM 380 OE2 GLU A 24 4.187 -8.974 -8.132 1.00 36.51 O ATOM 0 H GLU A 24 -0.054 -7.079 -5.400 1.00 9.54 H new ATOM 0 HA GLU A 24 2.367 -5.774 -5.468 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.971 -8.011 -6.379 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.798 -7.393 -7.526 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.504 -6.378 -8.883 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.722 -6.574 -7.638 1.00 27.76 H new ATOM 387 N ASN A 25 0.208 -4.383 -7.441 1.00 9.43 N ATOM 388 CA ASN A 25 -0.097 -3.272 -8.288 1.00 10.96 C ATOM 389 C ASN A 25 -0.248 -1.965 -7.589 1.00 9.68 C ATOM 390 O ASN A 25 -0.068 -0.889 -8.158 1.00 9.33 O ATOM 391 CB ASN A 25 -1.274 -3.539 -9.241 1.00 16.78 C ATOM 392 CG ASN A 25 -0.866 -4.138 -10.579 1.00 22.31 C ATOM 393 OD1 ASN A 25 -0.282 -3.475 -11.435 1.00 25.66 O ATOM 394 ND2 ASN A 25 -1.139 -5.457 -10.765 1.00 24.70 N ATOM 0 H ASN A 25 -0.614 -4.948 -7.230 1.00 9.43 H new ATOM 0 HA ASN A 25 0.802 -3.171 -8.896 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -1.977 -4.213 -8.752 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.802 -2.603 -9.420 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -0.858 -5.919 -11.630 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.625 -5.985 -10.040 1.00 24.70 H new ATOM 401 N VAL A 26 -0.541 -2.040 -6.278 1.00 6.52 N ATOM 402 CA VAL A 26 -0.230 -1.051 -5.294 1.00 5.53 C ATOM 403 C VAL A 26 1.188 -0.660 -5.054 1.00 4.42 C ATOM 404 O VAL A 26 1.552 0.514 -5.091 1.00 3.40 O ATOM 405 CB VAL A 26 -0.963 -1.416 -4.038 1.00 3.86 C ATOM 406 CG1 VAL A 26 -0.581 -0.376 -2.971 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.490 -1.370 -4.209 1.00 8.12 C ATOM 0 H VAL A 26 -1.027 -2.844 -5.881 1.00 6.52 H new ATOM 0 HA VAL A 26 -0.572 -0.111 -5.727 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.688 -2.435 -3.764 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.095 -0.606 -2.038 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.496 -0.401 -2.807 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -0.873 0.618 -3.310 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.970 -1.643 -3.269 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -2.794 -0.362 -4.492 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.790 -2.072 -4.987 1.00 8.12 H new ATOM 417 N LYS A 27 2.043 -1.682 -4.868 1.00 2.64 N ATOM 418 CA LYS A 27 3.426 -1.526 -4.538 1.00 4.14 C ATOM 419 C LYS A 27 4.243 -0.998 -5.667 1.00 5.58 C ATOM 420 O LYS A 27 5.168 -0.208 -5.485 1.00 4.11 O ATOM 421 CB LYS A 27 3.963 -2.783 -3.834 1.00 3.97 C ATOM 422 CG LYS A 27 3.250 -3.008 -2.499 1.00 7.45 C ATOM 423 CD LYS A 27 3.824 -4.184 -1.707 1.00 9.02 C ATOM 424 CE LYS A 27 3.669 -5.582 -2.309 1.00 12.90 C ATOM 425 NZ LYS A 27 4.362 -6.635 -1.534 1.00 15.47 N ATOM 0 H LYS A 27 1.758 -2.658 -4.951 1.00 2.64 H new ATOM 0 HA LYS A 27 3.523 -0.730 -3.800 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.823 -3.652 -4.477 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.035 -2.680 -3.666 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.322 -2.102 -1.897 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.190 -3.184 -2.684 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.887 -4.000 -1.554 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.356 -4.188 -0.723 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.609 -5.827 -2.373 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.057 -5.576 -3.328 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.408 -7.508 -2.098 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.326 -6.320 -1.305 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.839 -6.819 -0.654 1.00 15.47 H new ATOM 439 N ALA A 28 3.854 -1.305 -6.917 1.00 6.61 N ATOM 440 CA ALA A 28 4.484 -0.802 -8.099 1.00 7.74 C ATOM 441 C ALA A 28 4.306 0.670 -8.252 1.00 9.17 C ATOM 442 O ALA A 28 5.256 1.338 -8.656 1.00 11.45 O ATOM 443 CB ALA A 28 3.747 -1.366 -9.325 1.00 7.68 C ATOM 0 H ALA A 28 3.070 -1.928 -7.113 1.00 6.61 H new ATOM 0 HA ALA A 28 5.537 -1.075 -8.024 1.00 7.74 H new ATOM 0 HB1 ALA A 28 4.215 -0.992 -10.235 1.00 7.68 H new ATOM 0 HB2 ALA A 28 3.799 -2.455 -9.312 1.00 7.68 H new ATOM 0 HB3 ALA A 28 2.704 -1.052 -9.298 1.00 7.68 H new ATOM 449 N LYS A 29 3.155 1.233 -7.843 1.00 8.96 N ATOM 450 CA LYS A 29 2.823 2.614 -8.011 1.00 7.90 C ATOM 451 C LYS A 29 3.509 3.488 -7.019 1.00 6.92 C ATOM 452 O LYS A 29 3.623 4.686 -7.271 1.00 6.87 O ATOM 453 CB LYS A 29 1.301 2.761 -8.177 1.00 10.28 C ATOM 454 CG LYS A 29 0.806 4.044 -8.847 1.00 14.94 C ATOM 455 CD LYS A 29 1.003 3.778 -10.341 1.00 19.69 C ATOM 456 CE LYS A 29 0.510 4.977 -11.153 1.00 22.63 C ATOM 457 NZ LYS A 29 0.508 4.785 -12.620 1.00 24.98 N ATOM 0 H LYS A 29 2.422 0.701 -7.374 1.00 8.96 H new ATOM 0 HA LYS A 29 3.232 3.005 -8.943 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.938 1.912 -8.756 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.843 2.693 -7.190 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.240 4.240 -8.611 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.376 4.913 -8.517 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.057 3.594 -10.551 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.458 2.880 -10.634 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -0.503 5.221 -10.833 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.135 5.838 -10.916 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 0.159 5.649 -13.083 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.475 4.585 -12.945 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -0.112 3.987 -12.865 1.00 24.98 H new ATOM 471 N ILE A 30 3.975 2.986 -5.861 1.00 4.57 N ATOM 472 CA ILE A 30 4.811 3.628 -4.895 1.00 5.58 C ATOM 473 C ILE A 30 6.200 3.702 -5.428 1.00 7.26 C ATOM 474 O ILE A 30 6.799 4.766 -5.282 1.00 9.46 O ATOM 475 CB ILE A 30 4.622 2.964 -3.563 1.00 5.36 C ATOM 476 CG1 ILE A 30 3.137 2.957 -3.161 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.562 3.572 -2.508 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.912 1.895 -2.086 1.00 2.00 C ATOM 0 H ILE A 30 3.741 2.035 -5.576 1.00 4.57 H new ATOM 0 HA ILE A 30 4.537 4.668 -4.715 1.00 5.58 H new ATOM 0 HB ILE A 30 4.909 1.915 -3.638 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.845 3.938 -2.787 1.00 2.94 H new ATOM 0 HG13 ILE A 30 2.514 2.749 -4.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.406 3.074 -1.551 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.597 3.438 -2.822 1.00 2.78 H new ATOM 0 HG23 ILE A 30 5.350 4.636 -2.402 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.861 1.886 -1.798 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.189 0.916 -2.478 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.525 2.124 -1.214 1.00 2.00 H new ATOM 490 N GLN A 31 6.674 2.630 -6.087 1.00 7.06 N ATOM 491 CA GLN A 31 7.964 2.553 -6.700 1.00 8.67 C ATOM 492 C GLN A 31 8.095 3.497 -7.845 1.00 10.90 C ATOM 493 O GLN A 31 9.152 4.052 -8.142 1.00 9.63 O ATOM 494 CB GLN A 31 8.166 1.109 -7.188 1.00 9.12 C ATOM 495 CG GLN A 31 9.583 0.934 -7.738 1.00 10.76 C ATOM 496 CD GLN A 31 9.895 -0.448 -8.294 1.00 13.78 C ATOM 497 OE1 GLN A 31 11.064 -0.822 -8.370 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.842 -1.109 -8.847 1.00 14.76 N ATOM 0 H GLN A 31 6.130 1.774 -6.198 1.00 7.06 H new ATOM 0 HA GLN A 31 8.723 2.833 -5.969 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.998 0.412 -6.367 1.00 9.12 H new ATOM 0 HB3 GLN A 31 7.435 0.873 -7.962 1.00 9.12 H new ATOM 0 HG2 GLN A 31 9.743 1.670 -8.526 1.00 10.76 H new ATOM 0 HG3 GLN A 31 10.295 1.158 -6.943 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.897 -0.740 -8.744 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.998 -1.974 -9.365 1.00 14.76 H new ATOM 507 N ASP A 32 6.993 3.752 -8.573 1.00 10.93 N ATOM 508 CA ASP A 32 6.886 4.734 -9.606 1.00 14.01 C ATOM 509 C ASP A 32 6.911 6.124 -9.069 1.00 14.04 C ATOM 510 O ASP A 32 7.726 6.968 -9.440 1.00 13.39 O ATOM 511 CB ASP A 32 5.592 4.305 -10.319 1.00 18.01 C ATOM 512 CG ASP A 32 5.594 4.957 -11.695 1.00 24.33 C ATOM 513 OD1 ASP A 32 5.299 6.164 -11.900 1.00 26.29 O ATOM 514 OD2 ASP A 32 5.834 4.162 -12.643 1.00 25.17 O ATOM 0 H ASP A 32 6.123 3.239 -8.430 1.00 10.93 H new ATOM 0 HA ASP A 32 7.726 4.771 -10.300 1.00 14.01 H new ATOM 0 HB2 ASP A 32 5.545 3.220 -10.408 1.00 18.01 H new ATOM 0 HB3 ASP A 32 4.717 4.616 -9.748 1.00 18.01 H new ATOM 519 N LYS A 33 5.942 6.396 -8.177 1.00 14.22 N ATOM 520 CA LYS A 33 5.679 7.639 -7.520 1.00 14.00 C ATOM 521 C LYS A 33 6.742 8.284 -6.698 1.00 12.37 C ATOM 522 O LYS A 33 7.286 9.345 -6.998 1.00 12.17 O ATOM 523 CB LYS A 33 4.362 7.443 -6.749 1.00 18.62 C ATOM 524 CG LYS A 33 3.810 8.728 -6.127 1.00 24.00 C ATOM 525 CD LYS A 33 2.289 8.616 -6.017 1.00 27.61 C ATOM 526 CE LYS A 33 1.697 10.007 -5.781 1.00 27.64 C ATOM 527 NZ LYS A 33 0.237 9.923 -5.554 1.00 30.06 N ATOM 0 H LYS A 33 5.280 5.675 -7.890 1.00 14.22 H new ATOM 0 HA LYS A 33 5.624 8.389 -8.309 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.615 7.028 -7.426 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.520 6.708 -5.960 1.00 18.62 H new ATOM 0 HG2 LYS A 33 4.248 8.887 -5.142 1.00 24.00 H new ATOM 0 HG3 LYS A 33 4.081 9.589 -6.739 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.878 8.183 -6.929 1.00 27.61 H new ATOM 0 HD3 LYS A 33 2.020 7.949 -5.198 1.00 27.61 H new ATOM 0 HE2 LYS A 33 2.178 10.471 -4.920 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.900 10.645 -6.641 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.126 10.858 -5.279 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.233 9.612 -6.428 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.042 9.240 -4.795 1.00 30.06 H new ATOM 541 N GLU A 34 7.176 7.560 -5.652 1.00 10.11 N ATOM 542 CA GLU A 34 8.046 7.937 -4.581 1.00 10.07 C ATOM 543 C GLU A 34 9.400 7.379 -4.859 1.00 9.32 C ATOM 544 O GLU A 34 10.422 8.049 -4.724 1.00 11.61 O ATOM 545 CB GLU A 34 7.621 7.390 -3.208 1.00 14.77 C ATOM 546 CG GLU A 34 6.335 8.063 -2.725 1.00 18.75 C ATOM 547 CD GLU A 34 6.502 9.566 -2.548 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.582 10.052 -2.120 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.633 10.334 -3.042 1.00 25.19 O ATOM 0 H GLU A 34 6.878 6.590 -5.548 1.00 10.11 H new ATOM 0 HA GLU A 34 8.020 9.026 -4.535 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.470 6.312 -3.273 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.418 7.557 -2.483 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.536 7.870 -3.440 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.029 7.619 -1.778 1.00 18.75 H new ATOM 556 N GLY A 35 9.510 6.086 -5.213 1.00 7.22 N ATOM 557 CA GLY A 35 10.703 5.381 -5.565 1.00 6.29 C ATOM 558 C GLY A 35 11.223 4.346 -4.627 1.00 6.93 C ATOM 559 O GLY A 35 12.388 3.961 -4.701 1.00 7.41 O ATOM 0 H GLY A 35 8.689 5.482 -5.256 1.00 7.22 H new ATOM 0 HA2 GLY A 35 10.531 4.899 -6.527 1.00 6.29 H new ATOM 0 HA3 GLY A 35 11.492 6.119 -5.714 1.00 6.29 H new ATOM 563 N ILE A 36 10.252 3.843 -3.844 1.00 5.86 N ATOM 564 CA ILE A 36 10.542 2.983 -2.739 1.00 6.07 C ATOM 565 C ILE A 36 10.487 1.572 -3.212 1.00 6.36 C ATOM 566 O ILE A 36 9.344 1.247 -3.530 1.00 6.18 O ATOM 567 CB ILE A 36 9.724 3.320 -1.527 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.953 4.799 -1.174 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.119 2.392 -0.366 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.743 5.320 -0.400 1.00 9.49 C ATOM 0 H ILE A 36 9.259 4.034 -3.978 1.00 5.86 H new ATOM 0 HA ILE A 36 11.557 3.140 -2.374 1.00 6.07 H new ATOM 0 HB ILE A 36 8.662 3.171 -1.724 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.858 4.907 -0.576 1.00 8.52 H new ATOM 0 HG13 ILE A 36 10.099 5.384 -2.082 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.525 2.637 0.514 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.936 1.356 -0.650 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.177 2.525 -0.138 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.898 6.369 -0.146 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.849 5.224 -1.015 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.618 4.740 0.514 1.00 9.49 H new ATOM 582 N PRO A 37 11.443 0.732 -3.478 1.00 8.65 N ATOM 583 CA PRO A 37 11.188 -0.505 -4.157 1.00 9.18 C ATOM 584 C PRO A 37 10.406 -1.527 -3.405 1.00 9.85 C ATOM 585 O PRO A 37 10.332 -1.359 -2.189 1.00 8.51 O ATOM 586 CB PRO A 37 12.557 -1.095 -4.489 1.00 11.42 C ATOM 587 CG PRO A 37 13.445 -0.425 -3.429 1.00 9.27 C ATOM 588 CD PRO A 37 12.852 0.975 -3.207 1.00 8.33 C ATOM 0 HA PRO A 37 10.565 -0.268 -5.019 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.567 -2.182 -4.405 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.874 -0.851 -5.503 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.448 -0.999 -2.503 1.00 9.27 H new ATOM 0 HG3 PRO A 37 14.479 -0.362 -3.769 1.00 9.27 H new ATOM 0 HD2 PRO A 37 13.019 1.337 -2.192 1.00 8.33 H new ATOM 0 HD3 PRO A 37 13.279 1.715 -3.884 1.00 8.33 H new ATOM 596 N PRO A 38 9.696 -2.439 -4.001 1.00 8.71 N ATOM 597 CA PRO A 38 8.851 -3.347 -3.282 1.00 9.08 C ATOM 598 C PRO A 38 9.461 -4.258 -2.273 1.00 9.28 C ATOM 599 O PRO A 38 8.699 -4.629 -1.381 1.00 6.50 O ATOM 600 CB PRO A 38 8.201 -4.265 -4.315 1.00 10.31 C ATOM 601 CG PRO A 38 9.158 -4.182 -5.515 1.00 10.81 C ATOM 602 CD PRO A 38 9.636 -2.724 -5.426 1.00 12.00 C ATOM 0 HA PRO A 38 8.198 -2.687 -2.711 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.109 -5.286 -3.944 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.198 -3.929 -4.577 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.983 -4.890 -5.432 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.653 -4.391 -6.458 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.611 -2.598 -5.896 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.947 -2.050 -5.936 1.00 12.00 H new ATOM 610 N ASP A 39 10.773 -4.552 -2.273 1.00 11.20 N ATOM 611 CA ASP A 39 11.416 -5.304 -1.240 1.00 14.96 C ATOM 612 C ASP A 39 11.692 -4.548 0.014 1.00 13.99 C ATOM 613 O ASP A 39 11.866 -5.141 1.077 1.00 13.75 O ATOM 614 CB ASP A 39 12.730 -5.953 -1.708 1.00 24.16 C ATOM 615 CG ASP A 39 13.746 -5.023 -2.356 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.414 -4.246 -3.290 1.00 35.55 O ATOM 617 OD2 ASP A 39 14.947 -5.070 -1.979 1.00 34.22 O ATOM 0 H ASP A 39 11.407 -4.257 -3.015 1.00 11.20 H new ATOM 0 HA ASP A 39 10.676 -6.070 -1.008 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.201 -6.430 -0.849 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.488 -6.744 -2.418 1.00 24.16 H new ATOM 622 N GLN A 40 11.735 -3.206 -0.058 1.00 11.60 N ATOM 623 CA GLN A 40 11.758 -2.406 1.127 1.00 10.76 C ATOM 624 C GLN A 40 10.440 -2.123 1.760 1.00 8.01 C ATOM 625 O GLN A 40 10.311 -1.649 2.888 1.00 8.96 O ATOM 626 CB GLN A 40 12.335 -1.019 0.797 1.00 11.14 C ATOM 627 CG GLN A 40 13.781 -1.043 0.297 1.00 14.85 C ATOM 628 CD GLN A 40 14.317 0.364 0.074 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.788 1.410 0.447 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.458 0.435 -0.662 1.00 18.16 N ATOM 0 H GLN A 40 11.754 -2.677 -0.930 1.00 11.60 H new ATOM 0 HA GLN A 40 12.349 -3.004 1.821 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.708 -0.548 0.039 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.281 -0.394 1.688 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.409 -1.562 1.021 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.836 -1.606 -0.635 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.913 -0.420 -0.981 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.859 1.344 -0.895 1.00 18.16 H new ATOM 639 N GLN A 41 9.302 -2.380 1.090 1.00 6.52 N ATOM 640 CA GLN A 41 8.048 -1.980 1.648 1.00 3.87 C ATOM 641 C GLN A 41 7.401 -3.104 2.382 1.00 4.79 C ATOM 642 O GLN A 41 6.973 -4.069 1.751 1.00 6.34 O ATOM 643 CB GLN A 41 7.043 -1.715 0.514 1.00 4.20 C ATOM 644 CG GLN A 41 7.400 -0.510 -0.358 1.00 3.20 C ATOM 645 CD GLN A 41 6.489 -0.391 -1.572 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.292 -0.660 -1.489 1.00 5.21 O ATOM 647 NE2 GLN A 41 7.089 -0.176 -2.773 1.00 7.13 N ATOM 0 H GLN A 41 9.248 -2.851 0.187 1.00 6.52 H new ATOM 0 HA GLN A 41 8.258 -1.119 2.282 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.979 -2.602 -0.117 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.055 -1.559 0.946 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.331 0.401 0.237 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.435 -0.597 -0.689 1.00 3.20 H new ATOM 0 HE21 GLN A 41 8.084 0.046 -2.814 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.544 -0.236 -3.633 1.00 7.13 H new ATOM 656 N ARG A 42 7.175 -2.913 3.694 1.00 5.73 N ATOM 657 CA ARG A 42 6.282 -3.769 4.411 1.00 6.97 C ATOM 658 C ARG A 42 4.987 -3.046 4.261 1.00 7.15 C ATOM 659 O ARG A 42 4.932 -1.940 4.796 1.00 7.33 O ATOM 660 CB ARG A 42 6.626 -3.951 5.899 1.00 13.23 C ATOM 661 CG ARG A 42 6.172 -5.326 6.394 1.00 21.27 C ATOM 662 CD ARG A 42 6.490 -5.717 7.838 1.00 26.14 C ATOM 663 NE ARG A 42 6.858 -7.148 8.036 1.00 32.26 N ATOM 664 CZ ARG A 42 7.054 -7.752 9.244 1.00 34.32 C ATOM 665 NH1 ARG A 42 6.835 -7.045 10.391 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.311 -9.092 9.278 1.00 36.39 N ATOM 0 H ARG A 42 7.604 -2.176 4.253 1.00 5.73 H new ATOM 0 HA ARG A 42 6.304 -4.788 4.025 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.701 -3.843 6.045 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.144 -3.170 6.487 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.092 -5.387 6.263 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.615 -6.078 5.741 1.00 21.27 H new ATOM 0 HD2 ARG A 42 7.310 -5.094 8.195 1.00 26.14 H new ATOM 0 HD3 ARG A 42 5.623 -5.491 8.459 1.00 26.14 H new ATOM 0 HE ARG A 42 6.973 -7.722 7.201 1.00 32.26 H new ATOM 0 HH11 ARG A 42 6.528 -6.074 10.341 1.00 35.30 H new ATOM 0 HH12 ARG A 42 6.979 -7.488 11.298 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.354 -9.625 8.410 1.00 36.39 H new ATOM 0 HH22 ARG A 42 7.460 -9.560 10.172 1.00 36.39 H new ATOM 680 N LEU A 43 3.946 -3.592 3.607 1.00 4.65 N ATOM 681 CA LEU A 43 2.732 -2.845 3.494 1.00 3.51 C ATOM 682 C LEU A 43 1.687 -3.386 4.407 1.00 5.56 C ATOM 683 O LEU A 43 1.238 -4.511 4.192 1.00 4.19 O ATOM 684 CB LEU A 43 2.349 -2.887 2.005 1.00 3.74 C ATOM 685 CG LEU A 43 1.185 -1.987 1.557 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.547 -0.512 1.318 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.658 -2.429 0.181 1.00 9.55 C ATOM 0 H LEU A 43 3.940 -4.514 3.172 1.00 4.65 H new ATOM 0 HA LEU A 43 2.847 -1.808 3.808 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.229 -2.618 1.421 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.099 -3.917 1.749 1.00 3.74 H new ATOM 0 HG LEU A 43 0.479 -2.081 2.382 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.657 0.035 1.006 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.935 -0.079 2.240 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.306 -0.445 0.538 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.165 -1.780 -0.119 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.460 -2.362 -0.554 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.305 -3.459 0.240 1.00 9.55 H new ATOM 699 N ILE A 44 1.232 -2.659 5.444 1.00 4.58 N ATOM 700 CA ILE A 44 0.482 -3.232 6.518 1.00 5.55 C ATOM 701 C ILE A 44 -0.855 -2.580 6.433 1.00 5.46 C ATOM 702 O ILE A 44 -1.082 -1.474 5.945 1.00 6.04 O ATOM 703 CB ILE A 44 1.163 -2.873 7.806 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.636 -3.313 7.851 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.424 -3.442 9.029 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.471 -2.932 9.072 1.00 13.90 C ATOM 0 H ILE A 44 1.388 -1.655 5.538 1.00 4.58 H new ATOM 0 HA ILE A 44 0.400 -4.318 6.467 1.00 5.55 H new ATOM 0 HB ILE A 44 1.134 -1.784 7.847 1.00 6.80 H new ATOM 0 HG12 ILE A 44 2.661 -4.399 7.757 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.131 -2.905 6.970 1.00 10.31 H new ATOM 0 HG21 ILE A 44 0.953 -3.157 9.939 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.590 -3.044 9.059 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.385 -4.529 8.957 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.485 -3.314 8.953 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.501 -1.847 9.168 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.024 -3.363 9.968 1.00 13.90 H new ATOM 718 N PHE A 45 -1.922 -3.255 6.896 1.00 6.75 N ATOM 719 CA PHE A 45 -3.218 -2.753 7.235 1.00 4.70 C ATOM 720 C PHE A 45 -3.270 -2.167 8.604 1.00 6.34 C ATOM 721 O PHE A 45 -3.058 -0.969 8.782 1.00 5.45 O ATOM 722 CB PHE A 45 -4.248 -3.879 7.046 1.00 5.51 C ATOM 723 CG PHE A 45 -5.625 -3.323 7.176 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.996 -2.377 6.250 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.483 -3.574 8.220 1.00 5.87 C ATOM 726 CE1 PHE A 45 -7.244 -1.803 6.314 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.689 -2.914 8.270 1.00 6.64 C ATOM 728 CZ PHE A 45 -8.170 -2.075 7.293 1.00 6.84 C ATOM 0 H PHE A 45 -1.868 -4.262 7.048 1.00 6.75 H new ATOM 0 HA PHE A 45 -3.459 -1.927 6.566 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -4.122 -4.340 6.067 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -4.089 -4.660 7.789 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -5.307 -2.084 5.472 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -6.214 -4.280 8.991 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.514 -1.093 5.546 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.305 -3.067 9.144 1.00 6.64 H new ATOM 0 HZ PHE A 45 -9.172 -1.671 7.294 1.00 6.84 H new ATOM 738 N ALA A 46 -3.393 -2.989 9.662 1.00 6.53 N ATOM 739 CA ALA A 46 -3.304 -2.637 11.045 1.00 7.15 C ATOM 740 C ALA A 46 -2.077 -3.252 11.624 1.00 9.00 C ATOM 741 O ALA A 46 -1.039 -2.630 11.843 1.00 11.15 O ATOM 742 CB ALA A 46 -4.554 -3.021 11.855 1.00 8.99 C ATOM 0 H ALA A 46 -3.570 -3.986 9.536 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.243 -1.550 11.107 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.418 -2.725 12.895 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.425 -2.511 11.443 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.705 -4.099 11.801 1.00 8.99 H new ATOM 748 N GLY A 47 -2.215 -4.582 11.774 1.00 9.35 N ATOM 749 CA GLY A 47 -1.111 -5.387 12.196 1.00 11.68 C ATOM 750 C GLY A 47 -0.501 -6.291 11.180 1.00 11.14 C ATOM 751 O GLY A 47 0.659 -6.700 11.181 1.00 13.93 O ATOM 0 H GLY A 47 -3.080 -5.095 11.605 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.331 -4.723 12.569 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -1.440 -5.997 13.037 1.00 11.68 H new ATOM 755 N LYS A 48 -1.340 -6.690 10.208 1.00 10.47 N ATOM 756 CA LYS A 48 -0.990 -7.781 9.351 1.00 8.82 C ATOM 757 C LYS A 48 -0.633 -7.266 7.999 1.00 7.68 C ATOM 758 O LYS A 48 -1.104 -6.234 7.525 1.00 6.47 O ATOM 759 CB LYS A 48 -2.153 -8.787 9.341 1.00 9.74 C ATOM 760 CG LYS A 48 -2.540 -9.439 10.670 1.00 14.14 C ATOM 761 CD LYS A 48 -3.922 -10.093 10.607 1.00 16.32 C ATOM 762 CE LYS A 48 -4.162 -11.214 9.594 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.428 -11.935 9.858 1.00 23.92 N ATOM 0 H LYS A 48 -2.247 -6.265 10.016 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.108 -8.307 9.716 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -3.033 -8.278 8.948 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.903 -9.581 8.638 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.796 -10.190 10.936 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.530 -8.687 11.459 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.144 -10.490 11.597 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -4.650 -9.307 10.408 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.186 -10.795 8.588 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.330 -11.917 9.627 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.554 -12.686 9.150 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.396 -12.356 10.808 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -6.225 -11.269 9.801 1.00 23.92 H new ATOM 777 N GLN A 49 0.250 -7.957 7.256 1.00 8.89 N ATOM 778 CA GLN A 49 0.815 -7.456 6.042 1.00 7.18 C ATOM 779 C GLN A 49 0.091 -8.127 4.926 1.00 8.23 C ATOM 780 O GLN A 49 -0.329 -9.282 4.973 1.00 9.70 O ATOM 781 CB GLN A 49 2.325 -7.724 5.925 1.00 11.67 C ATOM 782 CG GLN A 49 2.727 -9.177 5.661 1.00 15.82 C ATOM 783 CD GLN A 49 4.229 -9.368 5.505 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.842 -8.482 4.912 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.920 -10.450 5.955 1.00 20.67 N ATOM 0 H GLN A 49 0.580 -8.889 7.506 1.00 8.89 H new ATOM 0 HA GLN A 49 0.703 -6.372 6.015 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.723 -7.105 5.121 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.805 -7.396 6.847 1.00 11.67 H new ATOM 0 HG2 GLN A 49 2.372 -9.800 6.482 1.00 15.82 H new ATOM 0 HG3 GLN A 49 2.228 -9.526 4.757 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.432 -11.197 6.449 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.926 -10.514 5.798 1.00 20.67 H new ATOM 794 N LEU A 50 -0.064 -7.303 3.874 1.00 6.51 N ATOM 795 CA LEU A 50 -0.704 -7.607 2.632 1.00 7.41 C ATOM 796 C LEU A 50 0.185 -8.417 1.752 1.00 8.27 C ATOM 797 O LEU A 50 1.403 -8.319 1.891 1.00 8.34 O ATOM 798 CB LEU A 50 -1.294 -6.341 1.988 1.00 7.13 C ATOM 799 CG LEU A 50 -2.179 -5.417 2.841 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.659 -4.136 2.138 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.420 -6.120 3.417 1.00 8.14 C ATOM 0 H LEU A 50 0.288 -6.346 3.896 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.566 -8.249 2.815 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.463 -5.745 1.611 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.880 -6.653 1.124 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.496 -5.134 3.642 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.275 -3.554 2.823 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.797 -3.543 1.833 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.246 -4.402 1.259 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.999 -5.410 4.008 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -4.035 -6.499 2.601 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.107 -6.949 4.051 1.00 8.14 H new ATOM 813 N GLU A 51 -0.371 -9.343 0.951 1.00 9.43 N ATOM 814 CA GLU A 51 0.354 -10.259 0.126 1.00 11.90 C ATOM 815 C GLU A 51 0.167 -9.916 -1.311 1.00 11.49 C ATOM 816 O GLU A 51 -0.889 -9.397 -1.672 1.00 9.88 O ATOM 817 CB GLU A 51 -0.024 -11.739 0.309 1.00 16.56 C ATOM 818 CG GLU A 51 -0.010 -12.312 1.728 1.00 26.06 C ATOM 819 CD GLU A 51 -0.636 -13.699 1.713 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.039 -14.626 1.103 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.616 -13.928 2.471 1.00 32.13 O ATOM 0 H GLU A 51 -1.382 -9.459 0.875 1.00 9.43 H new ATOM 0 HA GLU A 51 1.391 -10.151 0.444 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.025 -11.881 -0.099 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.656 -12.335 -0.299 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.013 -12.365 2.102 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.562 -11.658 2.403 1.00 26.06 H new ATOM 828 N ASP A 52 1.116 -10.208 -2.218 1.00 12.71 N ATOM 829 CA ASP A 52 1.295 -9.662 -3.528 1.00 16.56 C ATOM 830 C ASP A 52 0.083 -9.827 -4.378 1.00 15.83 C ATOM 831 O ASP A 52 -0.490 -8.875 -4.907 1.00 17.21 O ATOM 832 CB ASP A 52 2.558 -10.172 -4.241 1.00 21.05 C ATOM 833 CG ASP A 52 3.697 -9.655 -3.374 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.043 -8.484 -3.687 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.213 -10.375 -2.478 1.00 25.82 O ATOM 0 H ASP A 52 1.834 -10.902 -2.008 1.00 12.71 H new ATOM 0 HA ASP A 52 1.447 -8.594 -3.374 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.568 -11.260 -4.308 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.625 -9.789 -5.259 1.00 21.05 H new ATOM 840 N GLY A 53 -0.407 -11.050 -4.646 1.00 15.00 N ATOM 841 CA GLY A 53 -1.410 -11.403 -5.602 1.00 11.77 C ATOM 842 C GLY A 53 -2.803 -11.528 -5.087 1.00 11.10 C ATOM 843 O GLY A 53 -3.625 -12.230 -5.675 1.00 11.25 O ATOM 0 H GLY A 53 -0.066 -11.870 -4.143 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.405 -10.655 -6.394 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.128 -12.352 -6.058 1.00 11.77 H new ATOM 847 N ARG A 54 -3.143 -10.704 -4.080 1.00 8.53 N ATOM 848 CA ARG A 54 -4.472 -10.621 -3.558 1.00 9.05 C ATOM 849 C ARG A 54 -4.900 -9.203 -3.713 1.00 8.96 C ATOM 850 O ARG A 54 -4.043 -8.366 -3.992 1.00 11.60 O ATOM 851 CB ARG A 54 -4.514 -10.975 -2.061 1.00 7.97 C ATOM 852 CG ARG A 54 -3.889 -12.312 -1.657 1.00 9.62 C ATOM 853 CD ARG A 54 -4.496 -13.606 -2.201 1.00 12.20 C ATOM 854 NE ARG A 54 -3.507 -14.716 -2.098 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.755 -16.023 -2.403 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.946 -16.513 -2.854 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.716 -16.908 -2.451 1.00 25.50 N ATOM 0 H ARG A 54 -2.480 -10.082 -3.618 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.119 -11.320 -4.088 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.010 -10.182 -1.509 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.556 -10.974 -1.740 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.841 -12.289 -1.955 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.910 -12.370 -0.569 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.397 -13.858 -1.642 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.794 -13.469 -3.240 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.569 -14.480 -1.773 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.738 -15.885 -2.987 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.044 -17.508 -3.058 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.766 -16.590 -2.260 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.890 -17.887 -2.678 1.00 25.50 H new ATOM 871 N THR A 55 -6.225 -8.974 -3.672 1.00 9.05 N ATOM 872 CA THR A 55 -6.850 -7.711 -3.914 1.00 9.03 C ATOM 873 C THR A 55 -7.359 -6.965 -2.729 1.00 8.15 C ATOM 874 O THR A 55 -7.406 -7.388 -1.575 1.00 5.91 O ATOM 875 CB THR A 55 -8.060 -7.873 -4.787 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.136 -8.557 -4.162 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.786 -8.584 -6.124 1.00 11.71 C ATOM 0 H THR A 55 -6.896 -9.711 -3.458 1.00 9.05 H new ATOM 0 HA THR A 55 -6.030 -7.145 -4.356 1.00 9.03 H new ATOM 0 HB THR A 55 -8.341 -6.837 -4.977 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.823 -8.765 -4.829 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.713 -8.659 -6.693 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.055 -8.013 -6.696 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.396 -9.584 -5.931 1.00 11.71 H new ATOM 885 N LEU A 56 -7.813 -5.726 -2.990 1.00 6.91 N ATOM 886 CA LEU A 56 -8.293 -4.869 -1.951 1.00 8.29 C ATOM 887 C LEU A 56 -9.685 -5.168 -1.512 1.00 8.05 C ATOM 888 O LEU A 56 -10.059 -4.962 -0.358 1.00 10.17 O ATOM 889 CB LEU A 56 -8.145 -3.370 -2.263 1.00 6.60 C ATOM 890 CG LEU A 56 -6.701 -2.875 -2.449 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.056 -2.605 -3.819 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.428 -1.565 -1.691 1.00 9.85 C ATOM 0 H LEU A 56 -7.848 -5.317 -3.924 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.632 -5.099 -1.115 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.707 -3.148 -3.170 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.605 -2.801 -1.455 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.252 -3.800 -2.086 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.030 -2.264 -3.677 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.055 -3.522 -4.408 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.625 -1.837 -4.344 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.395 -1.258 -1.855 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.100 -0.787 -2.055 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.596 -1.720 -0.625 1.00 9.85 H new ATOM 904 N SER A 57 -10.461 -5.768 -2.431 1.00 8.92 N ATOM 905 CA SER A 57 -11.739 -6.359 -2.184 1.00 9.00 C ATOM 906 C SER A 57 -11.631 -7.450 -1.175 1.00 9.44 C ATOM 907 O SER A 57 -12.198 -7.428 -0.084 1.00 10.91 O ATOM 908 CB SER A 57 -12.289 -7.075 -3.429 1.00 10.32 C ATOM 909 OG SER A 57 -12.516 -6.069 -4.405 1.00 13.59 O ATOM 0 H SER A 57 -10.178 -5.845 -3.408 1.00 8.92 H new ATOM 0 HA SER A 57 -12.378 -5.536 -1.864 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.580 -7.817 -3.795 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.213 -7.605 -3.196 1.00 10.32 H new ATOM 0 HG SER A 57 -11.657 -5.744 -4.746 1.00 13.59 H new ATOM 915 N ASP A 58 -10.813 -8.475 -1.472 1.00 9.11 N ATOM 916 CA ASP A 58 -10.668 -9.680 -0.716 1.00 7.91 C ATOM 917 C ASP A 58 -10.056 -9.495 0.630 1.00 9.12 C ATOM 918 O ASP A 58 -10.467 -10.153 1.584 1.00 8.61 O ATOM 919 CB ASP A 58 -9.792 -10.656 -1.519 1.00 8.41 C ATOM 920 CG ASP A 58 -9.899 -12.045 -0.907 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.030 -12.589 -0.795 1.00 10.05 O ATOM 922 OD2 ASP A 58 -8.824 -12.687 -0.762 1.00 11.70 O ATOM 0 H ASP A 58 -10.213 -8.460 -2.296 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.675 -10.061 -0.547 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -10.113 -10.679 -2.560 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.755 -10.322 -1.512 1.00 8.41 H new ATOM 927 N TYR A 59 -9.139 -8.522 0.784 1.00 7.97 N ATOM 928 CA TYR A 59 -8.566 -8.088 2.020 1.00 8.45 C ATOM 929 C TYR A 59 -9.538 -7.371 2.893 1.00 10.98 C ATOM 930 O TYR A 59 -9.309 -7.303 4.099 1.00 12.95 O ATOM 931 CB TYR A 59 -7.381 -7.127 1.823 1.00 7.94 C ATOM 932 CG TYR A 59 -6.072 -7.838 1.790 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.851 -8.640 2.885 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.135 -7.852 0.784 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.810 -9.533 2.977 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.109 -8.765 0.855 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.940 -9.622 1.916 1.00 6.76 C ATOM 938 OH TYR A 59 -2.998 -10.672 1.959 1.00 7.63 O ATOM 0 H TYR A 59 -8.773 -8.002 -0.014 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.239 -9.015 2.490 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.515 -6.575 0.893 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.373 -6.394 2.630 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.533 -8.564 3.719 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.203 -7.161 -0.044 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.679 -10.146 3.856 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.403 -8.811 0.039 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.779 -10.952 1.046 1.00 7.63 H new ATOM 948 N ASN A 60 -10.637 -6.877 2.294 1.00 12.38 N ATOM 949 CA ASN A 60 -11.632 -6.044 2.895 1.00 13.94 C ATOM 950 C ASN A 60 -11.125 -4.755 3.444 1.00 14.16 C ATOM 951 O ASN A 60 -11.430 -4.413 4.585 1.00 14.26 O ATOM 952 CB ASN A 60 -12.592 -6.759 3.860 1.00 19.23 C ATOM 953 CG ASN A 60 -13.333 -7.883 3.150 1.00 22.65 C ATOM 954 OD1 ASN A 60 -14.367 -7.627 2.536 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.723 -9.097 3.205 1.00 24.09 N ATOM 0 H ASN A 60 -10.844 -7.076 1.315 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.246 -5.772 2.036 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -12.033 -7.162 4.704 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.308 -6.044 4.264 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.124 -9.892 2.708 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.864 -9.212 3.743 1.00 24.09 H new ATOM 962 N ILE A 61 -10.364 -4.025 2.609 1.00 11.08 N ATOM 963 CA ILE A 61 -9.880 -2.713 2.910 1.00 11.78 C ATOM 964 C ILE A 61 -10.836 -1.740 2.311 1.00 13.74 C ATOM 965 O ILE A 61 -11.080 -1.716 1.105 1.00 14.60 O ATOM 966 CB ILE A 61 -8.522 -2.513 2.304 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.551 -3.481 3.002 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.006 -1.069 2.415 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.321 -3.917 2.207 1.00 11.42 C ATOM 0 H ILE A 61 -10.075 -4.361 1.690 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.800 -2.574 3.988 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.593 -2.716 1.235 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.210 -3.013 3.925 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -8.107 -4.375 3.284 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.020 -0.999 1.956 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.694 -0.396 1.902 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.938 -0.787 3.466 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.720 -4.597 2.811 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.638 -4.424 1.296 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.727 -3.041 1.947 1.00 11.42 H new ATOM 981 N GLN A 62 -11.404 -0.776 3.057 1.00 13.97 N ATOM 982 CA GLN A 62 -12.278 0.189 2.465 1.00 15.52 C ATOM 983 C GLN A 62 -11.485 1.320 1.907 1.00 13.94 C ATOM 984 O GLN A 62 -10.267 1.450 2.011 1.00 12.15 O ATOM 985 CB GLN A 62 -13.232 0.724 3.546 1.00 19.53 C ATOM 986 CG GLN A 62 -14.172 -0.375 4.046 1.00 26.38 C ATOM 987 CD GLN A 62 -15.120 0.101 5.137 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.078 -0.612 5.432 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.740 1.179 5.875 1.00 32.71 N ATOM 0 H GLN A 62 -11.260 -0.665 4.061 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.845 -0.280 1.661 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.654 1.120 4.381 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.817 1.551 3.142 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.755 -0.756 3.207 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.579 -1.207 4.426 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.937 1.738 5.586 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.258 1.429 6.717 1.00 32.71 H new ATOM 998 N LYS A 63 -12.195 2.228 1.213 1.00 11.73 N ATOM 999 CA LYS A 63 -11.663 3.450 0.697 1.00 11.97 C ATOM 1000 C LYS A 63 -11.383 4.475 1.742 1.00 10.41 C ATOM 1001 O LYS A 63 -11.848 4.470 2.881 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.735 4.116 -0.183 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.043 4.685 0.371 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.188 4.796 -0.638 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.294 5.661 -0.029 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.491 5.959 -0.847 1.00 25.97 N ATOM 0 H LYS A 63 -13.185 2.104 1.002 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.742 3.172 0.185 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.240 4.935 -0.705 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.014 3.380 -0.937 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.371 4.057 1.200 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.844 5.675 0.780 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.831 5.238 -1.568 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.574 3.806 -0.883 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.631 5.172 0.885 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.848 6.612 0.263 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.147 6.552 -0.300 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.205 6.464 -1.710 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.964 5.070 -1.107 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.399 5.325 1.399 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.727 6.329 2.163 1.00 10.94 C ATOM 1022 C GLU A 64 -9.134 5.756 3.404 1.00 9.74 C ATOM 1023 O GLU A 64 -9.212 6.322 4.493 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.578 7.593 2.376 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.033 8.387 1.150 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.906 9.608 1.405 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.470 10.778 1.573 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.151 9.416 1.375 1.00 32.61 O ATOM 0 H GLU A 64 -10.026 5.299 0.450 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.883 6.687 1.573 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.470 7.301 2.931 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.011 8.269 3.016 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.145 8.712 0.608 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.579 7.711 0.492 1.00 24.16 H new ATOM 1035 N SER A 65 -8.531 4.558 3.299 1.00 6.85 N ATOM 1036 CA SER A 65 -7.913 3.811 4.351 1.00 6.90 C ATOM 1037 C SER A 65 -6.460 3.945 4.050 1.00 4.72 C ATOM 1038 O SER A 65 -5.921 3.891 2.946 1.00 3.91 O ATOM 1039 CB SER A 65 -8.275 2.316 4.333 1.00 7.28 C ATOM 1040 OG SER A 65 -7.677 1.473 5.307 1.00 10.56 O ATOM 0 H SER A 65 -8.472 4.073 2.404 1.00 6.85 H new ATOM 0 HA SER A 65 -8.229 4.181 5.326 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.357 2.233 4.439 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.020 1.923 3.349 1.00 7.28 H new ATOM 0 HG SER A 65 -8.340 0.830 5.634 1.00 10.56 H new ATOM 1046 N THR A 66 -5.751 4.074 5.185 1.00 4.48 N ATOM 1047 CA THR A 66 -4.330 4.237 5.152 1.00 3.80 C ATOM 1048 C THR A 66 -3.566 2.983 5.404 1.00 4.60 C ATOM 1049 O THR A 66 -3.616 2.351 6.458 1.00 5.33 O ATOM 1050 CB THR A 66 -3.879 5.288 6.123 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.630 6.487 5.999 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.391 5.657 6.009 1.00 3.40 C ATOM 0 H THR A 66 -6.158 4.066 6.120 1.00 4.48 H new ATOM 0 HA THR A 66 -4.111 4.547 4.130 1.00 3.80 H new ATOM 0 HB THR A 66 -4.046 4.826 7.096 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.306 7.145 6.649 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.149 6.423 6.746 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.782 4.772 6.191 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.186 6.038 5.009 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.697 2.645 4.435 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.794 1.540 4.532 1.00 3.85 C ATOM 1062 C LEU A 67 -0.480 2.058 5.007 1.00 3.80 C ATOM 1063 O LEU A 67 0.009 3.152 4.731 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.591 0.755 3.225 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.890 0.239 2.583 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.648 -0.497 1.255 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.711 -0.625 3.555 1.00 8.12 C ATOM 0 H LEU A 67 -2.620 3.157 3.556 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.239 0.830 5.229 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.075 1.394 2.508 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.937 -0.094 3.424 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.479 1.126 2.349 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.600 -0.838 0.849 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.173 0.180 0.545 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.999 -1.356 1.428 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.619 -0.967 3.059 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.120 -1.487 3.864 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.977 -0.034 4.431 1.00 8.12 H new ATOM 1079 N HIS A 68 0.200 1.243 5.834 1.00 2.94 N ATOM 1080 CA HIS A 68 1.362 1.659 6.556 1.00 4.17 C ATOM 1081 C HIS A 68 2.631 1.024 6.101 1.00 5.32 C ATOM 1082 O HIS A 68 2.725 -0.202 6.108 1.00 7.70 O ATOM 1083 CB HIS A 68 1.195 1.325 8.048 1.00 5.57 C ATOM 1084 CG HIS A 68 0.000 2.014 8.636 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.245 1.420 8.593 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.195 3.308 9.007 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.105 2.361 9.067 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.531 3.534 9.266 1.00 16.30 N ATOM 0 H HIS A 68 -0.064 0.273 6.005 1.00 2.94 H new ATOM 0 HA HIS A 68 1.442 2.731 6.373 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.092 0.247 8.171 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.092 1.623 8.591 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -1.471 0.478 8.274 1.00 13.74 H new ATOM 0 HD2 HIS A 68 0.584 4.052 9.087 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -3.150 2.169 9.261 1.00 14.75 H new ATOM 1096 N LEU A 69 3.635 1.847 5.748 1.00 5.29 N ATOM 1097 CA LEU A 69 4.909 1.391 5.283 1.00 3.97 C ATOM 1098 C LEU A 69 5.917 1.458 6.378 1.00 5.07 C ATOM 1099 O LEU A 69 6.165 2.489 7.001 1.00 4.34 O ATOM 1100 CB LEU A 69 5.579 2.113 4.101 1.00 6.08 C ATOM 1101 CG LEU A 69 4.902 1.981 2.727 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.643 2.870 1.713 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.810 0.538 2.204 1.00 6.87 C ATOM 0 H LEU A 69 3.558 2.863 5.787 1.00 5.29 H new ATOM 0 HA LEU A 69 4.643 0.393 4.934 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.645 3.173 4.345 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.600 1.742 4.012 1.00 6.08 H new ATOM 0 HG LEU A 69 3.870 2.310 2.853 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.168 2.781 0.736 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.604 3.908 2.043 1.00 9.96 H new ATOM 0 HD13 LEU A 69 6.683 2.551 1.641 1.00 9.96 H new ATOM 0 HD21 LEU A 69 4.320 0.534 1.231 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.813 0.122 2.107 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.232 -0.066 2.903 1.00 6.87 H new ATOM 1115 N VAL A 70 6.592 0.320 6.620 1.00 4.29 N ATOM 1116 CA VAL A 70 7.817 0.279 7.356 1.00 6.26 C ATOM 1117 C VAL A 70 8.854 -0.309 6.463 1.00 9.22 C ATOM 1118 O VAL A 70 8.572 -0.657 5.317 1.00 9.36 O ATOM 1119 CB VAL A 70 7.760 -0.361 8.712 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.859 0.394 9.703 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.084 -1.739 8.618 1.00 8.54 C ATOM 0 H VAL A 70 6.278 -0.595 6.296 1.00 4.29 H new ATOM 0 HA VAL A 70 8.074 1.303 7.628 1.00 6.26 H new ATOM 0 HB VAL A 70 8.797 -0.384 9.048 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.862 -0.122 10.663 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.234 1.409 9.835 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.841 0.430 9.314 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.048 -2.195 9.607 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.070 -1.622 8.235 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.654 -2.379 7.944 1.00 8.54 H new ATOM 1131 N LEU A 71 10.123 -0.423 6.896 1.00 12.71 N ATOM 1132 CA LEU A 71 11.155 -1.066 6.143 1.00 16.06 C ATOM 1133 C LEU A 71 11.064 -2.523 6.443 1.00 18.09 C ATOM 1134 O LEU A 71 11.266 -2.974 7.570 1.00 19.26 O ATOM 1135 CB LEU A 71 12.532 -0.578 6.621 1.00 17.10 C ATOM 1136 CG LEU A 71 13.788 -1.236 6.026 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.902 -1.122 4.496 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.131 -0.932 6.713 1.00 17.51 C ATOM 0 H LEU A 71 10.440 -0.058 7.794 1.00 12.71 H new ATOM 0 HA LEU A 71 11.039 -0.851 5.081 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.592 0.492 6.423 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.572 -0.704 7.703 1.00 17.10 H new ATOM 0 HG LEU A 71 13.594 -2.281 6.267 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.816 -1.613 4.162 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.041 -1.602 4.030 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.929 -0.070 4.211 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.932 -1.458 6.194 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.321 0.141 6.682 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.092 -1.263 7.751 1.00 17.51 H new