USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -62:sc= 2.19 USER MOD Set 1.2: A 57 SER OG : rot -41:sc= 1.11 USER MOD Set 2.1: A 22 THR OG1 : rot -47:sc= 0.0882 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.37 K(o=1.5,f=-6!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -171:sc= 1.3 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 133:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.157 (180deg=-0.551) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.42 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= -0.0881 K(o=-0.088,f=-0.71) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.119!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00521 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.51 (180deg=1.49) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.702 K(o=-0.7,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.6) USER MOD Single : A 41 GLN : amide:sc= 1.47 K(o=1.5,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.458 K(o=0.46,f=-4.4!) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.355 USER MOD Single : A 60 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00911) USER MOD Single : A 65 SER OG : rot 89:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.220 -7.004 -5.153 1.00 9.67 N ATOM 2 CA MET A 1 11.246 -7.235 -3.663 1.00 10.38 C ATOM 3 C MET A 1 9.832 -7.530 -3.042 1.00 9.62 C ATOM 4 O MET A 1 8.854 -6.916 -3.363 1.00 9.62 O ATOM 5 CB MET A 1 12.052 -6.178 -2.881 1.00 13.77 C ATOM 6 CG MET A 1 11.335 -4.865 -2.643 1.00 16.29 C ATOM 7 SD MET A 1 12.431 -3.519 -2.258 1.00 17.17 S ATOM 8 CE MET A 1 10.990 -2.450 -1.966 1.00 16.11 C ATOM 0 H1 MET A 1 12.145 -7.250 -5.559 1.00 9.67 H new ATOM 0 H2 MET A 1 10.484 -7.599 -5.584 1.00 9.67 H new ATOM 0 H3 MET A 1 11.013 -6.003 -5.346 1.00 9.67 H new ATOM 0 HA MET A 1 11.807 -8.162 -3.541 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.333 -6.600 -1.916 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.976 -5.976 -3.422 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.757 -4.610 -3.531 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.625 -4.991 -1.825 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.313 -1.528 -1.483 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.514 -2.214 -2.917 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.278 -2.967 -1.322 1.00 16.11 H new ATOM 20 N GLN A 2 9.741 -8.533 -2.190 1.00 9.27 N ATOM 21 CA GLN A 2 8.557 -8.968 -1.508 1.00 9.07 C ATOM 22 C GLN A 2 8.112 -7.941 -0.441 1.00 8.72 C ATOM 23 O GLN A 2 8.940 -7.387 0.290 1.00 8.22 O ATOM 24 CB GLN A 2 8.790 -10.369 -0.848 1.00 14.46 C ATOM 25 CG GLN A 2 7.571 -10.812 -0.039 1.00 17.01 C ATOM 26 CD GLN A 2 7.734 -12.291 0.323 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.820 -13.084 0.065 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.900 -12.660 0.870 1.00 19.49 N ATOM 0 H GLN A 2 10.554 -9.099 -1.946 1.00 9.27 H new ATOM 0 HA GLN A 2 7.760 -9.053 -2.246 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.003 -11.107 -1.622 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.664 -10.326 -0.198 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.478 -10.210 0.865 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.659 -10.663 -0.617 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.618 -11.961 1.061 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.070 -13.640 1.096 1.00 19.49 H new ATOM 37 N ILE A 3 6.827 -7.622 -0.254 1.00 5.87 N ATOM 38 CA ILE A 3 6.354 -6.882 0.936 1.00 5.07 C ATOM 39 C ILE A 3 5.002 -7.350 1.264 1.00 4.01 C ATOM 40 O ILE A 3 4.340 -7.995 0.453 1.00 4.61 O ATOM 41 CB ILE A 3 6.297 -5.314 0.773 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.273 -4.916 -0.382 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.675 -4.655 0.625 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.774 -3.521 -0.363 1.00 10.83 C ATOM 0 H ILE A 3 6.086 -7.864 -0.912 1.00 5.87 H new ATOM 0 HA ILE A 3 7.084 -7.082 1.720 1.00 5.07 H new ATOM 0 HB ILE A 3 5.917 -4.904 1.708 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.755 -5.094 -1.343 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.416 -5.587 -0.326 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.553 -3.577 0.518 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.276 -4.866 1.509 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.176 -5.053 -0.257 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.086 -3.369 -1.195 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.254 -3.333 0.577 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.614 -2.833 -0.457 1.00 10.83 H new ATOM 56 N PHE A 4 4.667 -7.252 2.568 1.00 4.55 N ATOM 57 CA PHE A 4 3.346 -7.755 3.074 1.00 4.68 C ATOM 58 C PHE A 4 2.448 -6.569 3.392 1.00 5.30 C ATOM 59 O PHE A 4 2.928 -5.552 3.806 1.00 5.58 O ATOM 60 CB PHE A 4 3.565 -8.594 4.439 1.00 4.83 C ATOM 61 CG PHE A 4 4.533 -9.715 4.074 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.099 -10.922 3.499 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.899 -9.550 4.441 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.003 -11.955 3.194 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.835 -10.582 4.126 1.00 10.61 C ATOM 66 CZ PHE A 4 6.408 -11.812 3.556 1.00 8.90 C ATOM 0 H PHE A 4 5.267 -6.842 3.284 1.00 4.55 H new ATOM 0 HA PHE A 4 2.894 -8.389 2.312 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.975 -7.962 5.227 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.622 -8.995 4.810 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.049 -11.059 3.287 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.223 -8.655 4.951 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.659 -12.849 2.695 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.885 -10.425 4.324 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.106 -12.620 3.395 1.00 8.90 H new ATOM 76 N VAL A 5 1.102 -6.660 3.199 1.00 4.44 N ATOM 77 CA VAL A 5 0.178 -5.600 3.448 1.00 3.87 C ATOM 78 C VAL A 5 -0.896 -6.218 4.364 1.00 4.93 C ATOM 79 O VAL A 5 -1.546 -7.205 4.008 1.00 6.84 O ATOM 80 CB VAL A 5 -0.444 -4.985 2.206 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.499 -3.952 2.612 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.622 -4.405 1.286 1.00 9.13 C ATOM 0 H VAL A 5 0.653 -7.510 2.856 1.00 4.44 H new ATOM 0 HA VAL A 5 0.702 -4.758 3.901 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.947 -5.764 1.633 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.942 -3.514 1.718 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.276 -4.438 3.201 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.030 -3.168 3.206 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.147 -3.972 0.406 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.178 -3.631 1.816 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.305 -5.196 0.977 1.00 9.13 H new ATOM 92 N LYS A 6 -1.093 -5.732 5.608 1.00 6.04 N ATOM 93 CA LYS A 6 -2.015 -6.347 6.567 1.00 6.12 C ATOM 94 C LYS A 6 -3.339 -5.644 6.514 1.00 6.57 C ATOM 95 O LYS A 6 -3.339 -4.406 6.612 1.00 5.76 O ATOM 96 CB LYS A 6 -1.489 -6.238 8.054 1.00 7.45 C ATOM 97 CG LYS A 6 -0.103 -6.950 8.282 1.00 11.12 C ATOM 98 CD LYS A 6 -0.254 -8.479 8.577 1.00 14.54 C ATOM 99 CE LYS A 6 1.013 -9.314 8.616 1.00 18.84 C ATOM 100 NZ LYS A 6 0.756 -10.729 8.880 1.00 20.55 N ATOM 0 H LYS A 6 -0.616 -4.905 5.968 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.102 -7.398 6.292 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.397 -5.186 8.322 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.228 -6.675 8.726 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.521 -6.814 7.399 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.414 -6.472 9.114 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.758 -8.588 9.537 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.914 -8.904 7.820 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.535 -9.217 7.664 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.677 -8.921 9.386 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.657 -11.220 9.046 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.151 -10.821 9.721 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.276 -11.153 8.061 1.00 20.55 H new ATOM 114 N THR A 7 -4.525 -6.357 6.376 1.00 7.41 N ATOM 115 CA THR A 7 -5.868 -5.742 6.305 1.00 7.48 C ATOM 116 C THR A 7 -6.656 -5.712 7.558 1.00 8.75 C ATOM 117 O THR A 7 -6.338 -6.332 8.539 1.00 8.58 O ATOM 118 CB THR A 7 -6.730 -6.323 5.185 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.231 -7.607 5.451 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.958 -6.403 3.901 1.00 9.17 C ATOM 0 H THR A 7 -4.548 -7.375 6.313 1.00 7.41 H new ATOM 0 HA THR A 7 -5.616 -4.704 6.089 1.00 7.48 H new ATOM 0 HB THR A 7 -7.573 -5.636 5.107 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.772 -7.911 4.693 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.594 -6.820 3.120 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.632 -5.405 3.610 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.087 -7.043 4.040 1.00 9.17 H new ATOM 128 N LEU A 8 -7.775 -4.975 7.605 1.00 9.84 N ATOM 129 CA LEU A 8 -8.724 -4.706 8.713 1.00 14.15 C ATOM 130 C LEU A 8 -9.274 -5.975 9.297 1.00 17.37 C ATOM 131 O LEU A 8 -9.462 -6.142 10.486 1.00 17.01 O ATOM 132 CB LEU A 8 -9.847 -3.772 8.162 1.00 16.63 C ATOM 133 CG LEU A 8 -10.804 -3.323 9.259 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.106 -2.583 10.390 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.982 -2.522 8.637 1.00 18.59 C ATOM 0 H LEU A 8 -8.081 -4.488 6.762 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.208 -4.210 9.535 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.394 -2.897 7.695 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.405 -4.295 7.385 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.218 -4.213 9.733 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.840 -2.289 11.140 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.362 -3.235 10.847 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.615 -1.694 9.995 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.663 -2.204 9.427 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.593 -1.646 8.119 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.518 -3.154 7.929 1.00 18.59 H new ATOM 147 N THR A 9 -9.373 -7.008 8.455 1.00 18.33 N ATOM 148 CA THR A 9 -9.924 -8.291 8.791 1.00 19.24 C ATOM 149 C THR A 9 -8.946 -9.351 9.103 1.00 19.48 C ATOM 150 O THR A 9 -9.258 -10.555 9.132 1.00 23.14 O ATOM 151 CB THR A 9 -10.899 -8.823 7.773 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.390 -8.673 6.499 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.124 -7.911 7.857 1.00 19.70 C ATOM 0 H THR A 9 -9.055 -6.954 7.487 1.00 18.33 H new ATOM 0 HA THR A 9 -10.452 -8.055 9.715 1.00 19.24 H new ATOM 0 HB THR A 9 -11.113 -9.875 7.964 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.032 -9.024 5.847 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.875 -8.243 7.140 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.540 -7.953 8.864 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.831 -6.886 7.627 1.00 19.70 H new ATOM 161 N GLY A 10 -7.704 -8.982 9.349 1.00 19.43 N ATOM 162 CA GLY A 10 -6.541 -9.865 9.667 1.00 18.74 C ATOM 163 C GLY A 10 -5.837 -10.600 8.527 1.00 17.62 C ATOM 164 O GLY A 10 -5.004 -11.477 8.796 1.00 19.74 O ATOM 0 H GLY A 10 -7.437 -7.998 9.337 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.795 -9.256 10.177 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.882 -10.615 10.381 1.00 18.74 H new ATOM 168 N LYS A 11 -6.192 -10.373 7.278 1.00 13.56 N ATOM 169 CA LYS A 11 -5.597 -11.005 6.117 1.00 11.91 C ATOM 170 C LYS A 11 -4.218 -10.395 5.873 1.00 10.18 C ATOM 171 O LYS A 11 -3.988 -9.226 6.174 1.00 9.10 O ATOM 172 CB LYS A 11 -6.458 -10.851 4.811 1.00 13.43 C ATOM 173 CG LYS A 11 -6.130 -11.829 3.654 1.00 16.69 C ATOM 174 CD LYS A 11 -7.097 -11.489 2.487 1.00 17.92 C ATOM 175 CE LYS A 11 -6.817 -12.374 1.192 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.870 -12.249 0.214 1.00 21.93 N ATOM 0 H LYS A 11 -6.933 -9.716 7.034 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.534 -12.071 6.334 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.508 -10.975 5.077 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.341 -9.832 4.442 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.092 -11.720 3.339 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.260 -12.863 3.974 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.125 -11.643 2.814 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.998 -10.434 2.232 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.870 -12.073 0.745 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.714 -13.420 1.483 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.526 -12.577 -0.711 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.684 -12.826 0.505 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.160 -11.253 0.142 1.00 21.93 H new ATOM 190 N THR A 12 -3.277 -11.202 5.324 1.00 9.63 N ATOM 191 CA THR A 12 -1.989 -10.715 4.810 1.00 9.85 C ATOM 192 C THR A 12 -2.003 -10.722 3.295 1.00 11.66 C ATOM 193 O THR A 12 -2.124 -11.822 2.743 1.00 12.33 O ATOM 194 CB THR A 12 -0.774 -11.463 5.413 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.857 -11.519 6.828 1.00 10.91 O ATOM 196 CG2 THR A 12 0.511 -10.694 5.097 1.00 9.63 C ATOM 0 H THR A 12 -3.398 -12.210 5.229 1.00 9.63 H new ATOM 0 HA THR A 12 -1.862 -9.684 5.139 1.00 9.85 H new ATOM 0 HB THR A 12 -0.770 -12.466 4.987 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.671 -12.432 7.131 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.365 -11.222 5.522 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.633 -10.618 4.017 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.452 -9.694 5.527 1.00 9.63 H new ATOM 204 N ILE A 13 -1.901 -9.499 2.620 1.00 10.42 N ATOM 205 CA ILE A 13 -1.677 -9.438 1.214 1.00 11.84 C ATOM 206 C ILE A 13 -0.190 -9.505 0.899 1.00 10.55 C ATOM 207 O ILE A 13 0.615 -8.754 1.434 1.00 11.92 O ATOM 208 CB ILE A 13 -2.297 -8.281 0.508 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.690 -7.857 1.070 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.430 -8.662 -0.954 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.196 -6.452 0.550 1.00 16.46 C ATOM 0 H ILE A 13 -1.978 -8.589 3.075 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.192 -10.316 0.824 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.651 -7.416 0.657 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.424 -8.617 0.803 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.638 -7.832 2.158 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.882 -7.837 -1.505 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.444 -8.876 -1.365 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.061 -9.547 -1.044 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.170 -6.232 0.987 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.485 -5.679 0.840 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.283 -6.476 -0.536 1.00 16.46 H new ATOM 223 N THR A 14 0.220 -10.525 0.043 1.00 9.39 N ATOM 224 CA THR A 14 1.587 -10.701 -0.396 1.00 9.63 C ATOM 225 C THR A 14 1.770 -9.963 -1.672 1.00 11.20 C ATOM 226 O THR A 14 0.997 -10.083 -2.613 1.00 11.63 O ATOM 227 CB THR A 14 2.116 -12.113 -0.684 1.00 10.38 C ATOM 228 OG1 THR A 14 1.952 -12.880 0.498 1.00 16.30 O ATOM 229 CG2 THR A 14 3.611 -12.272 -1.032 1.00 11.66 C ATOM 0 H THR A 14 -0.421 -11.222 -0.335 1.00 9.39 H new ATOM 0 HA THR A 14 2.144 -10.349 0.472 1.00 9.63 H new ATOM 0 HB THR A 14 1.552 -12.419 -1.565 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.280 -13.791 0.345 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.833 -13.324 -1.209 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.839 -11.697 -1.930 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.218 -11.907 -0.204 1.00 11.66 H new ATOM 237 N LEU A 15 2.799 -9.071 -1.726 1.00 8.29 N ATOM 238 CA LEU A 15 2.978 -8.244 -2.890 1.00 9.03 C ATOM 239 C LEU A 15 4.437 -8.216 -3.339 1.00 8.59 C ATOM 240 O LEU A 15 5.349 -8.628 -2.637 1.00 7.79 O ATOM 241 CB LEU A 15 2.538 -6.711 -2.706 1.00 11.08 C ATOM 242 CG LEU A 15 1.060 -6.476 -2.347 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.858 -4.987 -2.100 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.204 -6.859 -3.538 1.00 15.27 C ATOM 0 H LEU A 15 3.485 -8.929 -0.984 1.00 8.29 H new ATOM 0 HA LEU A 15 2.325 -8.711 -3.627 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.157 -6.266 -1.926 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.757 -6.177 -3.630 1.00 11.08 H new ATOM 0 HG LEU A 15 0.790 -7.063 -1.469 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.185 -4.799 -1.844 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.498 -4.664 -1.278 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.116 -4.430 -3.001 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.847 -6.698 -3.298 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.479 -6.245 -4.396 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.364 -7.910 -3.778 1.00 15.27 H new ATOM 256 N GLU A 16 4.652 -7.758 -4.587 1.00 11.04 N ATOM 257 CA GLU A 16 5.931 -7.666 -5.196 1.00 11.50 C ATOM 258 C GLU A 16 6.144 -6.297 -5.790 1.00 10.13 C ATOM 259 O GLU A 16 5.442 -5.810 -6.648 1.00 9.83 O ATOM 260 CB GLU A 16 6.108 -8.667 -6.376 1.00 17.22 C ATOM 261 CG GLU A 16 7.577 -8.752 -6.876 1.00 23.33 C ATOM 262 CD GLU A 16 8.578 -9.427 -5.970 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.145 -10.339 -5.179 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.833 -9.172 -6.135 1.00 28.90 O ATOM 0 H GLU A 16 3.896 -7.439 -5.193 1.00 11.04 H new ATOM 0 HA GLU A 16 6.642 -7.887 -4.400 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.778 -9.657 -6.060 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.464 -8.366 -7.202 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.578 -9.277 -7.831 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.927 -7.738 -7.069 1.00 23.33 H new ATOM 271 N VAL A 17 7.223 -5.566 -5.323 1.00 8.99 N ATOM 272 CA VAL A 17 7.364 -4.181 -5.710 1.00 8.85 C ATOM 273 C VAL A 17 8.878 -4.015 -5.984 1.00 8.04 C ATOM 274 O VAL A 17 9.714 -4.859 -5.674 1.00 8.99 O ATOM 275 CB VAL A 17 7.085 -3.282 -4.480 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.508 -3.188 -4.243 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.726 -3.675 -3.188 1.00 10.54 C ATOM 0 H VAL A 17 7.954 -5.926 -4.709 1.00 8.99 H new ATOM 0 HA VAL A 17 6.706 -3.927 -6.541 1.00 8.85 H new ATOM 0 HB VAL A 17 7.544 -2.330 -4.745 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.307 -2.556 -3.378 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.033 -2.758 -5.125 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.107 -4.186 -4.064 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.448 -2.962 -2.412 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.389 -4.671 -2.903 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.810 -3.679 -3.306 1.00 10.54 H new ATOM 287 N GLU A 18 9.136 -2.761 -6.553 1.00 7.29 N ATOM 288 CA GLU A 18 10.415 -2.144 -6.727 1.00 7.08 C ATOM 289 C GLU A 18 10.505 -0.928 -5.805 1.00 6.45 C ATOM 290 O GLU A 18 9.419 -0.492 -5.346 1.00 5.28 O ATOM 291 CB GLU A 18 10.618 -1.655 -8.187 1.00 10.28 C ATOM 292 CG GLU A 18 10.741 -2.672 -9.331 1.00 12.65 C ATOM 293 CD GLU A 18 12.116 -3.198 -9.516 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.972 -2.398 -9.924 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.363 -4.369 -9.133 1.00 14.33 O ATOM 0 H GLU A 18 8.379 -2.172 -6.901 1.00 7.29 H new ATOM 0 HA GLU A 18 11.181 -2.883 -6.493 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.782 -0.998 -8.427 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.519 -1.042 -8.201 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.065 -3.506 -9.139 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.413 -2.203 -10.259 1.00 12.65 H new ATOM 302 N PRO A 19 11.686 -0.340 -5.445 1.00 7.24 N ATOM 303 CA PRO A 19 11.711 0.770 -4.530 1.00 7.07 C ATOM 304 C PRO A 19 11.197 2.001 -5.222 1.00 6.65 C ATOM 305 O PRO A 19 10.857 2.986 -4.544 1.00 6.37 O ATOM 306 CB PRO A 19 13.193 0.946 -4.218 1.00 7.61 C ATOM 307 CG PRO A 19 13.787 -0.462 -4.534 1.00 8.16 C ATOM 308 CD PRO A 19 12.971 -0.906 -5.726 1.00 7.49 C ATOM 0 HA PRO A 19 11.101 0.608 -3.642 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.646 1.723 -4.834 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.356 1.229 -3.178 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.850 -0.410 -4.768 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.679 -1.146 -3.692 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.384 -0.532 -6.663 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.928 -1.992 -5.807 1.00 7.49 H new ATOM 316 N SER A 20 11.136 1.989 -6.577 1.00 6.80 N ATOM 317 CA SER A 20 10.818 3.133 -7.442 1.00 6.28 C ATOM 318 C SER A 20 9.416 3.139 -7.889 1.00 8.45 C ATOM 319 O SER A 20 8.905 4.030 -8.574 1.00 7.26 O ATOM 320 CB SER A 20 11.824 3.073 -8.606 1.00 8.57 C ATOM 321 OG SER A 20 11.796 1.795 -9.313 1.00 11.13 O ATOM 0 H SER A 20 11.317 1.140 -7.112 1.00 6.80 H new ATOM 0 HA SER A 20 10.914 4.073 -6.898 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.607 3.877 -9.309 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.829 3.248 -8.221 1.00 8.57 H new ATOM 0 HG SER A 20 12.451 1.810 -10.042 1.00 11.13 H new ATOM 327 N ASP A 21 8.622 2.105 -7.431 1.00 7.50 N ATOM 328 CA ASP A 21 7.185 2.133 -7.563 1.00 7.70 C ATOM 329 C ASP A 21 6.641 3.177 -6.643 1.00 7.08 C ATOM 330 O ASP A 21 7.136 3.400 -5.550 1.00 8.11 O ATOM 331 CB ASP A 21 6.502 0.722 -7.387 1.00 11.00 C ATOM 332 CG ASP A 21 6.931 -0.244 -8.453 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.055 0.067 -9.632 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.117 -1.408 -8.044 1.00 14.36 O ATOM 0 H ASP A 21 8.986 1.267 -6.977 1.00 7.50 H new ATOM 0 HA ASP A 21 6.936 2.403 -8.589 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.754 0.317 -6.407 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.418 0.837 -7.416 1.00 11.00 H new ATOM 339 N THR A 22 5.623 3.959 -7.103 1.00 5.37 N ATOM 340 CA THR A 22 4.853 4.821 -6.169 1.00 6.01 C ATOM 341 C THR A 22 3.837 4.052 -5.416 1.00 8.01 C ATOM 342 O THR A 22 3.533 2.915 -5.741 1.00 8.11 O ATOM 343 CB THR A 22 4.228 6.031 -6.860 1.00 8.92 C ATOM 344 OG1 THR A 22 3.389 5.553 -7.927 1.00 10.22 O ATOM 345 CG2 THR A 22 5.333 6.862 -7.570 1.00 9.65 C ATOM 0 H THR A 22 5.327 4.009 -8.078 1.00 5.37 H new ATOM 0 HA THR A 22 5.577 5.206 -5.451 1.00 6.01 H new ATOM 0 HB THR A 22 3.692 6.620 -6.116 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.876 4.882 -8.450 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.881 7.724 -8.061 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.061 7.204 -6.834 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.833 6.242 -8.314 1.00 9.65 H new ATOM 353 N ILE A 23 3.243 4.651 -4.403 1.00 8.32 N ATOM 354 CA ILE A 23 2.173 4.038 -3.653 1.00 9.92 C ATOM 355 C ILE A 23 0.960 3.680 -4.461 1.00 10.01 C ATOM 356 O ILE A 23 0.277 2.696 -4.292 1.00 8.71 O ATOM 357 CB ILE A 23 1.791 4.977 -2.471 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.027 5.231 -1.498 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.571 4.399 -1.649 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.753 4.020 -1.066 1.00 12.30 C ATOM 0 H ILE A 23 3.494 5.584 -4.077 1.00 8.32 H new ATOM 0 HA ILE A 23 2.551 3.082 -3.291 1.00 9.92 H new ATOM 0 HB ILE A 23 1.497 5.931 -2.909 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.730 5.897 -1.998 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.668 5.754 -0.612 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.329 5.078 -0.831 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.294 4.298 -2.304 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.835 3.422 -1.244 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.574 4.304 -0.408 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.071 3.358 -0.531 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.150 3.503 -1.939 1.00 12.30 H new ATOM 372 N GLU A 24 0.621 4.595 -5.449 1.00 9.54 N ATOM 373 CA GLU A 24 -0.426 4.364 -6.440 1.00 11.81 C ATOM 374 C GLU A 24 -0.211 3.101 -7.266 1.00 11.14 C ATOM 375 O GLU A 24 -1.114 2.286 -7.553 1.00 10.62 O ATOM 376 CB GLU A 24 -0.624 5.640 -7.253 1.00 19.24 C ATOM 377 CG GLU A 24 -1.957 5.548 -8.065 1.00 27.76 C ATOM 378 CD GLU A 24 -2.407 6.894 -8.616 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.595 7.482 -9.367 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.532 7.308 -8.430 1.00 36.51 O ATOM 0 H GLU A 24 1.084 5.498 -5.551 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.365 4.150 -5.930 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.650 6.505 -6.590 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.217 5.784 -7.931 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.827 4.848 -8.890 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.740 5.143 -7.424 1.00 27.76 H new ATOM 387 N ASN A 25 1.063 2.804 -7.595 1.00 9.43 N ATOM 388 CA ASN A 25 1.440 1.541 -8.256 1.00 10.96 C ATOM 389 C ASN A 25 1.240 0.345 -7.363 1.00 9.68 C ATOM 390 O ASN A 25 0.698 -0.684 -7.781 1.00 9.33 O ATOM 391 CB ASN A 25 2.968 1.522 -8.654 1.00 16.78 C ATOM 392 CG ASN A 25 3.354 2.647 -9.603 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.368 3.263 -9.427 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.554 2.832 -10.659 1.00 24.70 N ATOM 0 H ASN A 25 1.850 3.426 -7.412 1.00 9.43 H new ATOM 0 HA ASN A 25 0.796 1.485 -9.134 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.573 1.594 -7.750 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.204 0.565 -9.120 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.795 3.526 -11.366 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.703 2.279 -10.757 1.00 24.70 H new ATOM 401 N VAL A 26 1.561 0.465 -6.068 1.00 6.52 N ATOM 402 CA VAL A 26 1.305 -0.524 -5.013 1.00 5.53 C ATOM 403 C VAL A 26 -0.143 -0.727 -4.868 1.00 4.42 C ATOM 404 O VAL A 26 -0.586 -1.864 -4.584 1.00 3.40 O ATOM 405 CB VAL A 26 1.826 -0.251 -3.605 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.770 -1.415 -2.636 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.271 0.226 -3.818 1.00 8.12 C ATOM 0 H VAL A 26 2.030 1.297 -5.710 1.00 6.52 H new ATOM 0 HA VAL A 26 1.870 -1.382 -5.377 1.00 5.53 H new ATOM 0 HB VAL A 26 1.180 0.481 -3.120 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.166 -1.103 -1.669 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.736 -1.740 -2.517 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.367 -2.240 -3.024 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.727 0.447 -2.853 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.842 -0.556 -4.319 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.270 1.126 -4.433 1.00 8.12 H new ATOM 417 N LYS A 27 -0.973 0.331 -4.999 1.00 2.64 N ATOM 418 CA LYS A 27 -2.420 0.193 -4.938 1.00 4.14 C ATOM 419 C LYS A 27 -3.003 -0.626 -6.044 1.00 5.58 C ATOM 420 O LYS A 27 -3.931 -1.388 -5.812 1.00 4.11 O ATOM 421 CB LYS A 27 -3.120 1.562 -4.935 1.00 3.97 C ATOM 422 CG LYS A 27 -3.009 2.358 -3.581 1.00 7.45 C ATOM 423 CD LYS A 27 -3.659 3.698 -3.714 1.00 9.02 C ATOM 424 CE LYS A 27 -3.480 4.597 -2.483 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.435 5.677 -2.482 1.00 15.47 N ATOM 0 H LYS A 27 -0.651 1.287 -5.148 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.599 -0.333 -4.000 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.698 2.172 -5.734 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.175 1.416 -5.169 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.484 1.793 -2.779 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.961 2.480 -3.307 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.248 4.206 -4.586 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.724 3.558 -3.899 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.597 4.004 -1.576 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.468 5.003 -2.470 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.257 6.297 -1.666 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.340 6.226 -3.360 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.398 5.289 -2.419 1.00 15.47 H new ATOM 439 N ALA A 28 -2.510 -0.478 -7.314 1.00 6.61 N ATOM 440 CA ALA A 28 -2.862 -1.191 -8.501 1.00 7.74 C ATOM 441 C ALA A 28 -2.567 -2.600 -8.387 1.00 9.17 C ATOM 442 O ALA A 28 -3.281 -3.438 -8.851 1.00 11.45 O ATOM 443 CB ALA A 28 -2.011 -0.646 -9.647 1.00 7.68 C ATOM 0 H ALA A 28 -1.791 0.219 -7.507 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.931 -1.064 -8.670 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.260 -1.174 -10.568 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.210 0.418 -9.774 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.955 -0.793 -9.418 1.00 7.68 H new ATOM 449 N LYS A 29 -1.421 -2.933 -7.638 1.00 8.96 N ATOM 450 CA LYS A 29 -1.015 -4.269 -7.204 1.00 7.90 C ATOM 451 C LYS A 29 -2.021 -4.939 -6.225 1.00 6.92 C ATOM 452 O LYS A 29 -2.381 -6.104 -6.328 1.00 6.87 O ATOM 453 CB LYS A 29 0.463 -4.353 -6.671 1.00 10.28 C ATOM 454 CG LYS A 29 1.538 -4.048 -7.685 1.00 14.94 C ATOM 455 CD LYS A 29 2.945 -3.820 -6.952 1.00 19.69 C ATOM 456 CE LYS A 29 3.999 -3.429 -7.933 1.00 22.63 C ATOM 457 NZ LYS A 29 4.417 -4.559 -8.786 1.00 24.98 N ATOM 0 H LYS A 29 -0.762 -2.217 -7.333 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.035 -4.856 -8.122 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.569 -3.661 -5.836 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.633 -5.355 -6.278 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.620 -4.870 -8.397 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.269 -3.159 -8.255 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.843 -3.044 -6.193 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.243 -4.733 -6.436 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.625 -2.621 -8.562 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.865 -3.041 -7.397 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.162 -4.244 -9.439 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.783 -5.328 -8.189 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.601 -4.903 -9.331 1.00 24.98 H new ATOM 471 N ILE A 30 -2.598 -4.215 -5.265 1.00 4.57 N ATOM 472 CA ILE A 30 -3.717 -4.707 -4.436 1.00 5.58 C ATOM 473 C ILE A 30 -5.022 -4.823 -5.281 1.00 7.26 C ATOM 474 O ILE A 30 -5.945 -5.652 -4.972 1.00 9.46 O ATOM 475 CB ILE A 30 -3.907 -3.915 -3.163 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.656 -3.945 -2.256 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.174 -4.483 -2.458 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.791 -2.933 -1.094 1.00 2.00 C ATOM 0 H ILE A 30 -2.306 -3.265 -5.034 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.454 -5.710 -4.101 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.048 -2.859 -3.392 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.517 -4.949 -1.855 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.769 -3.712 -2.845 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.349 -3.938 -1.530 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.037 -4.370 -3.114 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.024 -5.539 -2.235 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.898 -2.974 -0.470 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.906 -1.927 -1.499 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.665 -3.184 -0.493 1.00 2.00 H new ATOM 490 N GLN A 31 -5.225 -3.941 -6.252 1.00 7.06 N ATOM 491 CA GLN A 31 -6.420 -4.013 -7.051 1.00 8.67 C ATOM 492 C GLN A 31 -6.499 -5.301 -7.880 1.00 10.90 C ATOM 493 O GLN A 31 -7.591 -5.910 -7.956 1.00 9.63 O ATOM 494 CB GLN A 31 -6.491 -2.731 -7.955 1.00 9.12 C ATOM 495 CG GLN A 31 -7.888 -2.609 -8.707 1.00 10.76 C ATOM 496 CD GLN A 31 -7.972 -1.350 -9.516 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.803 -0.465 -9.253 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.079 -1.171 -10.513 1.00 14.76 N ATOM 0 H GLN A 31 -4.585 -3.185 -6.495 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.285 -4.044 -6.389 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.331 -1.845 -7.341 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.685 -2.760 -8.689 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.027 -3.471 -9.359 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.697 -2.628 -7.977 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.399 -1.901 -10.725 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.085 -0.306 -11.054 1.00 14.76 H new ATOM 507 N ASP A 32 -5.384 -5.733 -8.527 1.00 10.93 N ATOM 508 CA ASP A 32 -5.107 -7.066 -9.197 1.00 14.01 C ATOM 509 C ASP A 32 -5.313 -8.357 -8.392 1.00 14.04 C ATOM 510 O ASP A 32 -5.834 -9.350 -8.894 1.00 13.39 O ATOM 511 CB ASP A 32 -3.656 -6.965 -9.846 1.00 18.01 C ATOM 512 CG ASP A 32 -3.642 -7.559 -11.246 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.446 -8.807 -11.450 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.764 -6.708 -12.194 1.00 25.17 O ATOM 0 H ASP A 32 -4.576 -5.116 -8.610 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.895 -7.200 -9.938 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.344 -5.921 -9.887 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.936 -7.489 -9.218 1.00 18.01 H new ATOM 519 N LYS A 33 -4.837 -8.320 -7.095 1.00 14.22 N ATOM 520 CA LYS A 33 -4.979 -9.400 -6.169 1.00 14.00 C ATOM 521 C LYS A 33 -6.454 -9.449 -5.606 1.00 12.37 C ATOM 522 O LYS A 33 -7.166 -10.471 -5.580 1.00 12.17 O ATOM 523 CB LYS A 33 -3.979 -9.093 -5.042 1.00 18.62 C ATOM 524 CG LYS A 33 -2.517 -9.050 -5.415 1.00 24.00 C ATOM 525 CD LYS A 33 -1.777 -10.420 -5.165 1.00 27.61 C ATOM 526 CE LYS A 33 -0.274 -10.425 -5.497 1.00 27.64 C ATOM 527 NZ LYS A 33 0.218 -11.808 -5.214 1.00 30.06 N ATOM 0 H LYS A 33 -4.348 -7.513 -6.707 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.786 -10.368 -6.632 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.246 -8.130 -4.606 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.107 -9.843 -4.262 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.424 -8.780 -6.467 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.024 -8.267 -4.840 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.902 -10.696 -4.118 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.266 -11.192 -5.759 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.106 -10.159 -6.541 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.259 -9.692 -4.892 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.235 -11.864 -5.424 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.058 -12.035 -4.212 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.296 -12.488 -5.809 1.00 30.06 H new ATOM 541 N GLU A 34 -7.017 -8.330 -5.134 1.00 10.11 N ATOM 542 CA GLU A 34 -8.151 -8.283 -4.186 1.00 10.07 C ATOM 543 C GLU A 34 -9.402 -7.642 -4.635 1.00 9.32 C ATOM 544 O GLU A 34 -10.399 -7.842 -3.955 1.00 11.61 O ATOM 545 CB GLU A 34 -7.728 -7.557 -2.849 1.00 14.77 C ATOM 546 CG GLU A 34 -6.709 -8.356 -1.988 1.00 18.75 C ATOM 547 CD GLU A 34 -7.170 -9.670 -1.459 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.112 -9.702 -0.652 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.528 -10.660 -1.845 1.00 25.19 O ATOM 0 H GLU A 34 -6.691 -7.402 -5.405 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.380 -9.342 -4.065 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.297 -6.587 -3.096 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.621 -7.367 -2.253 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.815 -8.525 -2.588 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.414 -7.733 -1.144 1.00 18.75 H new ATOM 556 N GLY A 35 -9.462 -6.830 -5.752 1.00 7.22 N ATOM 557 CA GLY A 35 -10.730 -6.182 -6.173 1.00 6.29 C ATOM 558 C GLY A 35 -10.994 -4.928 -5.455 1.00 6.93 C ATOM 559 O GLY A 35 -12.144 -4.729 -5.003 1.00 7.41 O ATOM 0 H GLY A 35 -8.663 -6.623 -6.351 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.692 -5.981 -7.244 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.558 -6.872 -6.007 1.00 6.29 H new ATOM 563 N ILE A 36 -9.948 -4.075 -5.307 1.00 5.86 N ATOM 564 CA ILE A 36 -10.089 -2.842 -4.528 1.00 6.07 C ATOM 565 C ILE A 36 -9.672 -1.561 -5.265 1.00 6.36 C ATOM 566 O ILE A 36 -8.491 -1.437 -5.581 1.00 6.18 O ATOM 567 CB ILE A 36 -9.383 -2.799 -3.188 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.475 -4.146 -2.375 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.891 -1.672 -2.342 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.796 -4.182 -1.018 1.00 9.49 C ATOM 0 H ILE A 36 -9.023 -4.223 -5.711 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.166 -2.869 -4.364 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.332 -2.640 -3.427 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.529 -4.384 -2.232 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.049 -4.941 -2.988 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.365 -1.668 -1.387 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.719 -0.726 -2.855 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.959 -1.801 -2.167 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.936 -5.165 -0.567 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.731 -3.986 -1.139 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.233 -3.421 -0.372 1.00 9.49 H new ATOM 582 N PRO A 37 -10.532 -0.550 -5.559 1.00 8.65 N ATOM 583 CA PRO A 37 -10.068 0.726 -6.074 1.00 9.18 C ATOM 584 C PRO A 37 -8.890 1.435 -5.358 1.00 9.85 C ATOM 585 O PRO A 37 -9.026 1.590 -4.143 1.00 8.51 O ATOM 586 CB PRO A 37 -11.332 1.603 -5.865 1.00 11.42 C ATOM 587 CG PRO A 37 -12.507 0.692 -6.087 1.00 9.27 C ATOM 588 CD PRO A 37 -11.987 -0.686 -5.580 1.00 8.33 C ATOM 0 HA PRO A 37 -9.673 0.574 -7.079 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.351 2.028 -4.861 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.348 2.438 -6.565 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.384 1.022 -5.530 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.794 0.653 -7.138 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.377 -0.916 -4.589 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.299 -1.494 -6.241 1.00 8.33 H new ATOM 596 N PRO A 38 -7.886 1.961 -6.049 1.00 8.71 N ATOM 597 CA PRO A 38 -6.941 2.933 -5.493 1.00 9.08 C ATOM 598 C PRO A 38 -7.583 4.146 -4.831 1.00 9.28 C ATOM 599 O PRO A 38 -6.965 4.642 -3.873 1.00 6.50 O ATOM 600 CB PRO A 38 -5.970 3.272 -6.616 1.00 10.31 C ATOM 601 CG PRO A 38 -6.018 2.050 -7.545 1.00 10.81 C ATOM 602 CD PRO A 38 -7.468 1.571 -7.415 1.00 12.00 C ATOM 0 HA PRO A 38 -6.411 2.493 -4.648 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.269 4.181 -7.139 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.963 3.441 -6.233 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.772 2.315 -8.573 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.310 1.281 -7.236 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.105 2.034 -8.169 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.540 0.493 -7.556 1.00 12.00 H new ATOM 610 N ASP A 39 -8.738 4.680 -5.272 1.00 11.20 N ATOM 611 CA ASP A 39 -9.392 5.852 -4.648 1.00 14.96 C ATOM 612 C ASP A 39 -9.986 5.509 -3.246 1.00 13.99 C ATOM 613 O ASP A 39 -10.055 6.366 -2.320 1.00 13.75 O ATOM 614 CB ASP A 39 -10.492 6.489 -5.528 1.00 24.16 C ATOM 615 CG ASP A 39 -9.804 7.289 -6.637 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.228 8.372 -6.360 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.939 6.813 -7.764 1.00 34.22 O ATOM 0 H ASP A 39 -9.248 4.311 -6.075 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.595 6.587 -4.535 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.133 5.718 -5.955 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.131 7.138 -4.929 1.00 24.16 H new ATOM 622 N GLN A 40 -10.547 4.275 -3.086 1.00 11.60 N ATOM 623 CA GLN A 40 -10.913 3.782 -1.787 1.00 10.76 C ATOM 624 C GLN A 40 -9.699 3.469 -0.901 1.00 8.01 C ATOM 625 O GLN A 40 -9.644 3.870 0.265 1.00 8.96 O ATOM 626 CB GLN A 40 -11.755 2.497 -2.085 1.00 11.14 C ATOM 627 CG GLN A 40 -12.415 1.902 -0.856 1.00 14.85 C ATOM 628 CD GLN A 40 -13.343 0.662 -0.972 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.239 -0.439 -0.483 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.244 0.909 -2.037 1.00 18.16 N ATOM 0 H GLN A 40 -10.742 3.632 -3.853 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.469 4.529 -1.220 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.524 2.739 -2.818 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.108 1.746 -2.538 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.618 1.641 -0.159 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.999 2.696 -0.390 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.317 1.845 -2.436 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.819 0.151 -2.404 1.00 18.16 H new ATOM 639 N GLN A 41 -8.700 2.787 -1.439 1.00 6.52 N ATOM 640 CA GLN A 41 -7.465 2.517 -0.666 1.00 3.87 C ATOM 641 C GLN A 41 -6.633 3.775 -0.119 1.00 4.79 C ATOM 642 O GLN A 41 -6.414 4.802 -0.754 1.00 6.34 O ATOM 643 CB GLN A 41 -6.457 1.820 -1.546 1.00 4.20 C ATOM 644 CG GLN A 41 -6.904 0.425 -1.995 1.00 3.20 C ATOM 645 CD GLN A 41 -5.881 -0.269 -2.854 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.744 -0.312 -2.312 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.128 -0.674 -4.100 1.00 7.13 N ATOM 0 H GLN A 41 -8.703 2.411 -2.387 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.857 1.957 0.183 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.268 2.434 -2.427 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.513 1.735 -1.008 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.108 -0.186 -1.116 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.839 0.509 -2.549 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.073 -0.612 -4.479 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.372 -1.046 -4.675 1.00 7.13 H new ATOM 656 N ARG A 42 -6.121 3.625 1.105 1.00 5.73 N ATOM 657 CA ARG A 42 -4.974 4.364 1.556 1.00 6.97 C ATOM 658 C ARG A 42 -4.036 3.349 2.152 1.00 7.15 C ATOM 659 O ARG A 42 -4.409 2.365 2.785 1.00 7.33 O ATOM 660 CB ARG A 42 -5.343 5.378 2.606 1.00 13.23 C ATOM 661 CG ARG A 42 -6.130 6.709 2.215 1.00 21.27 C ATOM 662 CD ARG A 42 -6.249 7.564 3.442 1.00 26.14 C ATOM 663 NE ARG A 42 -6.589 8.989 2.978 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.883 9.981 3.812 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.698 9.935 5.182 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.468 11.099 3.315 1.00 36.39 N ATOM 0 H ARG A 42 -6.502 2.983 1.800 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.527 4.912 0.727 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.942 4.860 3.355 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.418 5.685 3.094 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.600 7.246 1.428 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.118 6.465 1.825 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.026 7.180 4.103 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.317 7.556 4.007 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.589 9.184 1.977 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.311 9.097 5.617 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.948 10.739 5.758 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.674 11.167 2.318 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.702 11.872 3.938 1.00 36.39 H new ATOM 680 N LEU A 43 -2.745 3.514 2.006 1.00 4.65 N ATOM 681 CA LEU A 43 -1.722 2.695 2.537 1.00 3.51 C ATOM 682 C LEU A 43 -1.026 3.438 3.685 1.00 5.56 C ATOM 683 O LEU A 43 -0.791 4.661 3.681 1.00 4.19 O ATOM 684 CB LEU A 43 -0.745 2.238 1.383 1.00 3.74 C ATOM 685 CG LEU A 43 -1.377 1.282 0.406 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.428 0.967 -0.711 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.958 -0.035 1.175 1.00 6.41 C ATOM 0 H LEU A 43 -2.368 4.293 1.466 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.134 1.779 2.960 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.395 3.118 0.844 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.132 1.766 1.826 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.241 1.756 -0.059 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.902 0.275 -1.407 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.165 1.886 -1.235 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.474 0.511 -0.304 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.410 -0.711 0.449 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.143 -0.546 1.688 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.710 0.271 1.903 1.00 6.41 H new ATOM 699 N ILE A 44 -0.599 2.658 4.677 1.00 4.58 N ATOM 700 CA ILE A 44 -0.057 3.087 5.941 1.00 5.55 C ATOM 701 C ILE A 44 1.198 2.277 6.166 1.00 5.46 C ATOM 702 O ILE A 44 1.265 1.059 5.971 1.00 6.04 O ATOM 703 CB ILE A 44 -1.030 2.837 7.151 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.315 3.626 6.927 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.346 3.168 8.522 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.284 3.591 8.157 1.00 13.90 C ATOM 0 H ILE A 44 -0.630 1.641 4.601 1.00 4.58 H new ATOM 0 HA ILE A 44 0.121 4.162 5.897 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.283 1.778 7.201 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.063 4.662 6.701 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.832 3.226 6.054 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.050 2.983 9.334 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.533 2.536 8.652 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.045 4.215 8.535 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.179 4.171 7.932 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.565 2.559 8.370 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.784 4.018 9.026 1.00 13.90 H new ATOM 718 N PHE A 45 2.323 2.962 6.628 1.00 6.75 N ATOM 719 CA PHE A 45 3.506 2.231 6.983 1.00 4.70 C ATOM 720 C PHE A 45 4.013 2.712 8.402 1.00 6.34 C ATOM 721 O PHE A 45 4.526 3.800 8.654 1.00 5.45 O ATOM 722 CB PHE A 45 4.765 2.579 6.023 1.00 5.51 C ATOM 723 CG PHE A 45 6.012 1.782 6.266 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.906 0.349 6.353 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.216 2.364 6.579 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.983 -0.402 6.732 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.372 1.555 6.894 1.00 6.64 C ATOM 728 CZ PHE A 45 8.245 0.163 6.967 1.00 6.84 C ATOM 0 H PHE A 45 2.385 3.974 6.741 1.00 6.75 H new ATOM 0 HA PHE A 45 3.227 1.179 6.924 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.459 2.432 4.987 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.004 3.636 6.138 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.970 -0.135 6.117 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.300 3.441 6.590 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.858 -1.468 6.855 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.329 2.023 7.072 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.097 -0.460 7.198 1.00 6.84 H new ATOM 738 N ALA A 46 3.931 1.796 9.416 1.00 6.53 N ATOM 739 CA ALA A 46 4.229 2.132 10.832 1.00 7.15 C ATOM 740 C ALA A 46 3.455 3.298 11.489 1.00 9.00 C ATOM 741 O ALA A 46 3.986 4.293 12.032 1.00 11.15 O ATOM 742 CB ALA A 46 5.733 2.302 11.130 1.00 8.99 C ATOM 0 H ALA A 46 3.661 0.823 9.272 1.00 6.53 H new ATOM 0 HA ALA A 46 3.842 1.230 11.306 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.870 2.546 12.183 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.256 1.374 10.902 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.137 3.107 10.516 1.00 8.99 H new ATOM 748 N GLY A 47 2.132 3.241 11.329 1.00 9.35 N ATOM 749 CA GLY A 47 1.336 4.373 11.856 1.00 11.68 C ATOM 750 C GLY A 47 1.129 5.576 10.956 1.00 11.14 C ATOM 751 O GLY A 47 0.179 6.358 11.123 1.00 13.93 O ATOM 0 H GLY A 47 1.611 2.490 10.877 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.354 3.990 12.134 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.814 4.719 12.772 1.00 11.68 H new ATOM 755 N LYS A 48 2.006 5.710 10.002 1.00 10.47 N ATOM 756 CA LYS A 48 2.034 6.862 9.127 1.00 8.82 C ATOM 757 C LYS A 48 1.446 6.631 7.774 1.00 7.68 C ATOM 758 O LYS A 48 1.987 5.778 7.007 1.00 6.47 O ATOM 759 CB LYS A 48 3.505 7.300 8.921 1.00 9.74 C ATOM 760 CG LYS A 48 4.446 7.447 10.135 1.00 14.14 C ATOM 761 CD LYS A 48 3.962 8.493 11.174 1.00 16.32 C ATOM 762 CE LYS A 48 3.508 9.831 10.610 1.00 20.04 C ATOM 763 NZ LYS A 48 2.890 10.558 11.736 1.00 23.92 N ATOM 0 H LYS A 48 2.731 5.020 9.803 1.00 10.47 H new ATOM 0 HA LYS A 48 1.425 7.620 9.620 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.964 6.583 8.241 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.488 8.261 8.407 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.546 6.479 10.626 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.438 7.729 9.783 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.136 8.060 11.739 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.771 8.675 11.881 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.351 10.388 10.201 1.00 20.04 H new ATOM 0 HE3 LYS A 48 2.795 9.690 9.798 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 2.558 11.488 11.409 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.084 10.012 12.102 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.592 10.688 12.492 1.00 23.92 H new ATOM 777 N GLN A 49 0.402 7.393 7.382 1.00 8.89 N ATOM 778 CA GLN A 49 -0.250 7.377 6.041 1.00 7.18 C ATOM 779 C GLN A 49 0.693 7.762 4.937 1.00 8.23 C ATOM 780 O GLN A 49 1.483 8.630 5.096 1.00 9.70 O ATOM 781 CB GLN A 49 -1.553 8.198 5.972 1.00 11.67 C ATOM 782 CG GLN A 49 -2.564 7.522 6.905 1.00 15.82 C ATOM 783 CD GLN A 49 -3.830 8.333 7.084 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.814 8.047 6.429 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.838 9.304 7.986 1.00 20.67 N ATOM 0 H GLN A 49 -0.033 8.067 8.013 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.536 6.337 5.885 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.375 9.229 6.279 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.934 8.231 4.951 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.820 6.540 6.506 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.101 7.360 7.878 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.992 9.515 8.516 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.690 9.841 8.150 1.00 20.67 H new ATOM 794 N LEU A 50 0.620 7.079 3.765 1.00 6.51 N ATOM 795 CA LEU A 50 1.498 7.261 2.594 1.00 7.41 C ATOM 796 C LEU A 50 0.654 7.874 1.477 1.00 8.27 C ATOM 797 O LEU A 50 -0.534 7.616 1.428 1.00 8.34 O ATOM 798 CB LEU A 50 2.164 5.977 2.042 1.00 7.13 C ATOM 799 CG LEU A 50 2.672 4.977 3.149 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.812 3.599 2.530 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.981 5.428 3.724 1.00 9.11 C ATOM 0 H LEU A 50 -0.084 6.358 3.610 1.00 6.51 H new ATOM 0 HA LEU A 50 2.320 7.893 2.930 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.450 5.459 1.402 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.007 6.262 1.413 1.00 7.13 H new ATOM 0 HG LEU A 50 1.950 4.947 3.965 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.163 2.895 3.285 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.845 3.271 2.150 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.529 3.640 1.710 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.308 4.719 4.485 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.728 5.479 2.932 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.861 6.414 4.174 1.00 9.11 H new ATOM 813 N GLU A 51 1.229 8.705 0.624 1.00 9.43 N ATOM 814 CA GLU A 51 0.525 9.450 -0.429 1.00 11.90 C ATOM 815 C GLU A 51 0.837 8.950 -1.833 1.00 11.49 C ATOM 816 O GLU A 51 1.945 8.439 -2.008 1.00 9.88 O ATOM 817 CB GLU A 51 0.893 10.946 -0.358 1.00 16.56 C ATOM 818 CG GLU A 51 0.562 11.662 0.963 1.00 26.06 C ATOM 819 CD GLU A 51 1.036 13.120 0.918 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.312 13.954 0.317 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.097 13.359 1.517 1.00 32.13 O ATOM 0 H GLU A 51 2.232 8.892 0.638 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.538 9.295 -0.245 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.962 11.046 -0.544 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.379 11.465 -1.168 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.513 11.628 1.142 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.040 11.144 1.794 1.00 26.06 H new ATOM 828 N ASP A 52 -0.155 9.036 -2.780 1.00 12.71 N ATOM 829 CA ASP A 52 -0.178 8.315 -4.079 1.00 16.56 C ATOM 830 C ASP A 52 1.073 8.494 -4.917 1.00 15.83 C ATOM 831 O ASP A 52 1.625 7.543 -5.401 1.00 17.21 O ATOM 832 CB ASP A 52 -1.445 8.870 -4.761 1.00 21.05 C ATOM 833 CG ASP A 52 -2.756 8.672 -4.125 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.414 7.576 -4.176 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.168 9.606 -3.372 1.00 28.37 O ATOM 0 H ASP A 52 -0.976 9.626 -2.647 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.199 7.234 -3.944 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.303 9.943 -4.890 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.497 8.434 -5.758 1.00 21.05 H new ATOM 840 N GLY A 53 1.506 9.763 -5.066 1.00 15.00 N ATOM 841 CA GLY A 53 2.627 10.025 -5.932 1.00 11.77 C ATOM 842 C GLY A 53 3.908 10.169 -5.197 1.00 11.10 C ATOM 843 O GLY A 53 4.664 11.104 -5.435 1.00 11.25 O ATOM 0 H GLY A 53 1.102 10.580 -4.609 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.718 9.214 -6.654 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.436 10.936 -6.499 1.00 11.77 H new ATOM 847 N ARG A 54 4.229 9.189 -4.295 1.00 8.53 N ATOM 848 CA ARG A 54 5.469 9.136 -3.583 1.00 9.05 C ATOM 849 C ARG A 54 5.904 7.716 -3.595 1.00 8.96 C ATOM 850 O ARG A 54 5.085 6.784 -3.728 1.00 11.60 O ATOM 851 CB ARG A 54 5.247 9.630 -2.171 1.00 7.97 C ATOM 852 CG ARG A 54 6.442 10.124 -1.342 1.00 9.62 C ATOM 853 CD ARG A 54 7.274 11.145 -2.053 1.00 12.20 C ATOM 854 NE ARG A 54 8.142 11.708 -0.993 1.00 18.23 N ATOM 855 CZ ARG A 54 9.039 12.578 -1.256 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.490 12.819 -2.489 1.00 25.50 N ATOM 857 NH2 ARG A 54 9.738 13.100 -0.216 1.00 23.38 N ATOM 0 H ARG A 54 3.598 8.421 -4.066 1.00 8.53 H new ATOM 0 HA ARG A 54 6.234 9.765 -4.038 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.526 10.446 -2.221 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.776 8.821 -1.613 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.076 10.550 -0.408 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.070 9.273 -1.079 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.863 10.693 -2.852 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.654 11.915 -2.511 1.00 12.20 H new ATOM 0 HE ARG A 54 8.020 11.393 -0.030 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.116 12.295 -3.280 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.209 13.527 -2.640 1.00 25.50 H new ATOM 0 HH21 ARG A 54 9.539 12.795 0.737 1.00 23.38 H new ATOM 0 HH22 ARG A 54 10.462 13.797 -0.387 1.00 23.38 H new ATOM 871 N THR A 55 7.303 7.516 -3.556 1.00 9.05 N ATOM 872 CA THR A 55 7.882 6.150 -3.789 1.00 9.03 C ATOM 873 C THR A 55 8.236 5.296 -2.539 1.00 8.15 C ATOM 874 O THR A 55 8.333 5.815 -1.436 1.00 5.91 O ATOM 875 CB THR A 55 9.041 6.019 -4.798 1.00 11.15 C ATOM 876 OG1 THR A 55 10.237 6.615 -4.385 1.00 11.95 O ATOM 877 CG2 THR A 55 8.700 6.644 -6.130 1.00 11.71 C ATOM 0 H THR A 55 7.988 8.250 -3.375 1.00 9.05 H new ATOM 0 HA THR A 55 6.986 5.734 -4.249 1.00 9.03 H new ATOM 0 HB THR A 55 9.183 4.941 -4.877 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.100 7.579 -4.273 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.543 6.530 -6.812 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.824 6.150 -6.550 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.487 7.704 -5.991 1.00 11.71 H new ATOM 885 N LEU A 56 8.339 3.987 -2.702 1.00 6.91 N ATOM 886 CA LEU A 56 8.830 3.175 -1.624 1.00 8.29 C ATOM 887 C LEU A 56 10.163 3.534 -1.100 1.00 8.05 C ATOM 888 O LEU A 56 10.432 3.485 0.126 1.00 10.17 O ATOM 889 CB LEU A 56 8.676 1.708 -1.982 1.00 6.60 C ATOM 890 CG LEU A 56 7.191 1.272 -2.221 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.999 -0.047 -2.850 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.241 1.341 -1.021 1.00 8.64 C ATOM 0 H LEU A 56 8.093 3.482 -3.553 1.00 6.91 H new ATOM 0 HA LEU A 56 8.202 3.391 -0.760 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.256 1.499 -2.881 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.099 1.101 -1.182 1.00 6.60 H new ATOM 0 HG LEU A 56 6.918 2.060 -2.923 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.933 -0.243 -2.966 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.478 -0.057 -3.829 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.443 -0.818 -2.221 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.247 1.012 -1.324 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.611 0.693 -0.226 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.188 2.367 -0.657 1.00 8.64 H new ATOM 904 N SER A 57 11.056 4.024 -1.976 1.00 8.92 N ATOM 905 CA SER A 57 12.338 4.623 -1.649 1.00 9.00 C ATOM 906 C SER A 57 12.307 5.853 -0.771 1.00 9.44 C ATOM 907 O SER A 57 13.141 6.003 0.086 1.00 10.91 O ATOM 908 CB SER A 57 13.198 4.881 -2.948 1.00 10.32 C ATOM 909 OG SER A 57 12.855 5.979 -3.786 1.00 13.59 O ATOM 0 H SER A 57 10.883 4.007 -2.981 1.00 8.92 H new ATOM 0 HA SER A 57 12.817 3.868 -1.025 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.235 5.013 -2.638 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.160 3.977 -3.555 1.00 10.32 H new ATOM 0 HG SER A 57 11.880 6.032 -3.873 1.00 13.59 H new ATOM 915 N ASP A 58 11.301 6.752 -1.036 1.00 9.11 N ATOM 916 CA ASP A 58 11.090 7.943 -0.271 1.00 7.91 C ATOM 917 C ASP A 58 10.706 7.687 1.124 1.00 9.12 C ATOM 918 O ASP A 58 11.130 8.474 1.979 1.00 8.61 O ATOM 919 CB ASP A 58 10.052 8.834 -0.969 1.00 8.41 C ATOM 920 CG ASP A 58 10.458 9.201 -2.381 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.559 9.710 -2.503 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.633 8.899 -3.303 1.00 11.70 O ATOM 0 H ASP A 58 10.634 6.632 -1.798 1.00 9.11 H new ATOM 0 HA ASP A 58 12.048 8.460 -0.223 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.092 8.318 -0.993 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.910 9.745 -0.387 1.00 8.41 H new ATOM 927 N TYR A 59 9.952 6.648 1.408 1.00 7.97 N ATOM 928 CA TYR A 59 9.459 6.371 2.747 1.00 8.45 C ATOM 929 C TYR A 59 10.387 5.374 3.441 1.00 10.98 C ATOM 930 O TYR A 59 10.231 4.929 4.583 1.00 12.95 O ATOM 931 CB TYR A 59 8.039 5.838 2.765 1.00 7.94 C ATOM 932 CG TYR A 59 6.972 6.857 2.440 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.711 7.894 3.364 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.256 6.757 1.256 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.639 8.797 3.036 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.241 7.671 0.954 1.00 6.52 C ATOM 937 CZ TYR A 59 5.028 8.759 1.818 1.00 6.76 C ATOM 938 OH TYR A 59 3.999 9.633 1.396 1.00 7.63 O ATOM 0 H TYR A 59 9.659 5.963 0.712 1.00 7.97 H new ATOM 0 HA TYR A 59 9.447 7.322 3.280 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.966 5.017 2.052 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.835 5.422 3.752 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.287 8.004 4.271 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.485 5.964 0.559 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.312 9.519 3.770 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.631 7.543 0.072 1.00 6.52 H new ATOM 0 HH TYR A 59 4.049 9.752 0.425 1.00 7.63 H new ATOM 948 N ASN A 60 11.397 4.932 2.686 1.00 12.38 N ATOM 949 CA ASN A 60 12.477 4.082 3.211 1.00 13.94 C ATOM 950 C ASN A 60 11.967 2.686 3.457 1.00 14.16 C ATOM 951 O ASN A 60 12.268 2.009 4.433 1.00 14.26 O ATOM 952 CB ASN A 60 13.264 4.625 4.442 1.00 19.23 C ATOM 953 CG ASN A 60 13.792 5.984 4.111 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.439 7.043 4.679 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.813 6.027 3.261 1.00 24.09 N ATOM 0 H ASN A 60 11.492 5.151 1.694 1.00 12.38 H new ATOM 0 HA ASN A 60 13.229 4.083 2.422 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.613 4.675 5.315 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.084 3.952 4.694 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.292 6.910 3.083 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.118 5.177 2.787 1.00 24.09 H new ATOM 962 N ILE A 61 11.255 2.094 2.490 1.00 11.08 N ATOM 963 CA ILE A 61 10.568 0.808 2.613 1.00 11.78 C ATOM 964 C ILE A 61 11.351 -0.214 1.800 1.00 13.74 C ATOM 965 O ILE A 61 11.479 -0.101 0.579 1.00 14.60 O ATOM 966 CB ILE A 61 9.146 0.881 2.128 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.322 1.990 2.826 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.424 -0.469 2.295 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.020 2.259 2.157 1.00 11.42 C ATOM 0 H ILE A 61 11.139 2.515 1.568 1.00 11.08 H new ATOM 0 HA ILE A 61 10.525 0.522 3.664 1.00 11.78 H new ATOM 0 HB ILE A 61 9.213 1.132 1.069 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.139 1.701 3.861 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.908 2.909 2.850 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.399 -0.380 1.935 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.946 -1.234 1.720 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.415 -0.749 3.348 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.491 3.046 2.694 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.198 2.577 1.130 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.417 1.351 2.156 1.00 11.42 H new ATOM 981 N GLN A 62 12.073 -1.085 2.551 1.00 13.97 N ATOM 982 CA GLN A 62 12.887 -2.160 1.935 1.00 15.52 C ATOM 983 C GLN A 62 12.184 -3.491 1.783 1.00 13.94 C ATOM 984 O GLN A 62 11.136 -3.666 2.360 1.00 12.15 O ATOM 985 CB GLN A 62 14.168 -2.395 2.695 1.00 19.53 C ATOM 986 CG GLN A 62 14.007 -3.027 4.142 1.00 26.38 C ATOM 987 CD GLN A 62 15.346 -3.054 4.856 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.914 -4.058 5.302 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.860 -1.847 5.147 1.00 32.71 N ATOM 0 H GLN A 62 12.107 -1.064 3.570 1.00 13.97 H new ATOM 0 HA GLN A 62 13.088 -1.780 0.933 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.805 -3.051 2.102 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.691 -1.444 2.791 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.289 -2.447 4.722 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.609 -4.039 4.062 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.411 -1.003 4.792 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.699 -1.775 5.723 1.00 32.71 H new ATOM 998 N LYS A 63 12.748 -4.527 1.076 1.00 11.73 N ATOM 999 CA LYS A 63 12.340 -5.932 1.159 1.00 11.97 C ATOM 1000 C LYS A 63 11.822 -6.431 2.549 1.00 10.41 C ATOM 1001 O LYS A 63 12.385 -6.136 3.629 1.00 9.59 O ATOM 1002 CB LYS A 63 13.509 -6.864 0.715 1.00 13.73 C ATOM 1003 CG LYS A 63 14.810 -6.880 1.530 1.00 16.98 C ATOM 1004 CD LYS A 63 15.903 -7.781 0.923 1.00 20.19 C ATOM 1005 CE LYS A 63 17.219 -7.919 1.768 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.975 -8.513 3.069 1.00 25.97 N ATOM 0 H LYS A 63 13.517 -4.380 0.422 1.00 11.73 H new ATOM 0 HA LYS A 63 11.483 -5.984 0.487 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.124 -7.884 0.693 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.768 -6.598 -0.310 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.192 -5.862 1.610 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.591 -7.219 2.543 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.485 -8.776 0.771 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.164 -7.391 -0.061 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.938 -8.529 1.221 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.670 -6.935 1.898 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.878 -8.631 3.571 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.350 -7.893 3.622 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.522 -9.441 2.947 1.00 25.97 H new ATOM 1020 N GLU A 64 10.676 -7.125 2.524 1.00 10.04 N ATOM 1021 CA GLU A 64 10.091 -7.853 3.622 1.00 10.94 C ATOM 1022 C GLU A 64 9.554 -6.917 4.679 1.00 9.74 C ATOM 1023 O GLU A 64 9.408 -7.253 5.878 1.00 9.42 O ATOM 1024 CB GLU A 64 11.015 -8.929 4.207 1.00 18.31 C ATOM 1025 CG GLU A 64 11.272 -10.021 3.139 1.00 24.16 C ATOM 1026 CD GLU A 64 12.183 -11.104 3.655 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.700 -12.065 4.296 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.395 -11.065 3.318 1.00 31.72 O ATOM 0 H GLU A 64 10.110 -7.187 1.678 1.00 10.04 H new ATOM 0 HA GLU A 64 9.245 -8.402 3.208 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.958 -8.482 4.521 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.561 -9.371 5.094 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.323 -10.460 2.832 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.714 -9.566 2.253 1.00 24.16 H new ATOM 1035 N SER A 65 9.161 -5.726 4.224 1.00 6.85 N ATOM 1036 CA SER A 65 8.449 -4.748 5.019 1.00 6.90 C ATOM 1037 C SER A 65 7.022 -5.188 5.084 1.00 4.72 C ATOM 1038 O SER A 65 6.530 -5.799 4.128 1.00 3.91 O ATOM 1039 CB SER A 65 8.500 -3.365 4.405 1.00 7.28 C ATOM 1040 OG SER A 65 9.883 -2.840 4.492 1.00 10.56 O ATOM 0 H SER A 65 9.338 -5.416 3.268 1.00 6.85 H new ATOM 0 HA SER A 65 8.913 -4.687 6.004 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.179 -3.405 3.364 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.812 -2.698 4.925 1.00 7.28 H new ATOM 0 HG SER A 65 10.388 -3.116 3.699 1.00 10.56 H new ATOM 1046 N THR A 66 6.332 -4.888 6.267 1.00 4.48 N ATOM 1047 CA THR A 66 4.922 -5.107 6.486 1.00 3.80 C ATOM 1048 C THR A 66 4.233 -3.744 6.453 1.00 4.60 C ATOM 1049 O THR A 66 4.578 -2.850 7.204 1.00 5.33 O ATOM 1050 CB THR A 66 4.591 -5.809 7.836 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.888 -7.166 7.800 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.097 -5.822 8.120 1.00 3.40 C ATOM 0 H THR A 66 6.798 -4.481 7.078 1.00 4.48 H new ATOM 0 HA THR A 66 4.568 -5.777 5.702 1.00 3.80 H new ATOM 0 HB THR A 66 5.171 -5.252 8.572 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.669 -7.572 8.665 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.912 -6.321 9.071 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.727 -4.798 8.170 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.580 -6.356 7.323 1.00 3.40 H new ATOM 1060 N LEU A 67 3.281 -3.582 5.538 1.00 4.17 N ATOM 1061 CA LEU A 67 2.461 -2.388 5.420 1.00 3.85 C ATOM 1062 C LEU A 67 1.099 -2.675 6.027 1.00 3.80 C ATOM 1063 O LEU A 67 0.820 -3.759 6.506 1.00 5.54 O ATOM 1064 CB LEU A 67 2.273 -1.980 3.951 1.00 7.18 C ATOM 1065 CG LEU A 67 3.481 -1.147 3.486 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.810 -1.973 3.350 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.182 -0.491 2.116 1.00 11.66 C ATOM 0 H LEU A 67 3.056 -4.295 4.844 1.00 4.17 H new ATOM 0 HA LEU A 67 2.960 -1.571 5.941 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.169 -2.868 3.327 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.356 -1.402 3.838 1.00 7.18 H new ATOM 0 HG LEU A 67 3.634 -0.399 4.264 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.614 -1.316 3.018 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.070 -2.406 4.316 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.669 -2.771 2.621 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.044 0.096 1.798 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.978 -1.267 1.378 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.313 0.161 2.207 1.00 11.66 H new ATOM 1079 N HIS A 68 0.277 -1.688 6.126 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.086 -1.702 6.546 1.00 4.17 C ATOM 1081 C HIS A 68 -1.990 -1.072 5.479 1.00 5.32 C ATOM 1082 O HIS A 68 -1.708 -0.103 4.762 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.268 -0.893 7.898 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.631 -1.717 9.060 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.671 -1.942 9.290 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.274 -2.203 10.202 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.799 -2.591 10.472 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.362 -2.782 11.092 1.00 16.30 N ATOM 0 H HIS A 68 0.577 -0.743 5.888 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.367 -2.744 6.700 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.791 0.084 7.821 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.326 -0.717 8.094 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.338 -2.140 10.375 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.747 -2.920 10.870 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.542 -3.235 11.988 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.199 -1.604 5.332 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.176 -1.143 4.373 1.00 3.97 C ATOM 1098 C LEU A 69 -5.399 -0.594 5.144 1.00 5.07 C ATOM 1099 O LEU A 69 -6.033 -1.190 5.990 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.649 -2.330 3.402 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.779 -1.977 2.516 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.450 -1.080 1.307 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.405 -3.280 1.933 1.00 9.96 C ATOM 0 H LEU A 69 -3.527 -2.388 5.895 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.724 -0.366 3.757 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.804 -2.640 2.788 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.933 -3.189 4.009 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.446 -1.407 3.163 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.359 -0.892 0.735 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.040 -0.133 1.658 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.719 -1.579 0.672 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.238 -3.022 1.279 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.651 -3.822 1.363 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.764 -3.908 2.749 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.819 0.634 4.727 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.128 1.151 5.215 1.00 6.26 C ATOM 1117 C VAL A 70 -8.098 1.583 4.130 1.00 9.22 C ATOM 1118 O VAL A 70 -7.739 2.287 3.216 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.998 2.261 6.248 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.168 1.820 7.483 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.389 3.618 5.708 1.00 8.54 C ATOM 0 H VAL A 70 -5.308 1.250 4.095 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.557 0.271 5.695 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.034 2.455 6.526 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.103 2.646 8.192 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.652 0.968 7.961 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.165 1.536 7.165 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.339 4.343 6.520 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.387 3.438 5.320 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.022 4.009 4.911 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.350 1.165 4.067 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.343 1.482 3.046 1.00 16.06 C ATOM 1133 C LEU A 71 -11.247 2.689 3.455 1.00 18.09 C ATOM 1134 O LEU A 71 -12.190 2.570 4.286 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.091 0.132 2.718 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.169 -0.951 2.180 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.943 -2.228 1.927 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.190 -0.555 1.074 1.00 19.57 C ATOM 0 H LEU A 71 -9.732 0.547 4.783 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.889 1.849 2.126 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.580 -0.233 3.621 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.876 0.328 1.987 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.456 -1.142 2.982 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.268 -2.992 1.542 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.389 -2.574 2.859 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.730 -2.038 1.197 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.596 -1.422 0.786 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.745 -0.192 0.209 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.530 0.232 1.437 1.00 19.57 H new