USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= -0.32 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0438 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.104 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.104 X(o=0.21,f=0) USER MOD Single : A 1 MET CE :methyl 130:sc= -0.3 (180deg=-0.962) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.26 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0531 (180deg=-0.325) USER MOD Single : A 7 THR OG1 : rot 82:sc= 0.807 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0.755) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.585 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 2.24 (180deg=1.51) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.154) USER MOD Single : A 31 GLN : amide:sc= -0.345 K(o=-0.35,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.921) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.527 K(o=0.53,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 59 TYR OH : rot 7:sc= -0.152 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 62 GLN : amide:sc=-0.00368 K(o=-0.0037,f=-0.96) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 0.156 (180deg=-0.492) USER MOD Single : A 65 SER OG : rot 83:sc= 1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.084 2.393 -4.880 1.00 9.67 N ATOM 2 CA MET A 1 -12.992 3.003 -3.535 1.00 10.38 C ATOM 3 C MET A 1 -11.683 3.694 -3.369 1.00 9.62 C ATOM 4 O MET A 1 -10.668 3.388 -3.993 1.00 9.62 O ATOM 5 CB MET A 1 -13.185 1.915 -2.465 1.00 13.77 C ATOM 6 CG MET A 1 -12.049 0.902 -2.306 1.00 16.29 C ATOM 7 SD MET A 1 -12.437 -0.348 -1.044 1.00 17.17 S ATOM 8 CE MET A 1 -10.680 -0.726 -0.785 1.00 16.11 C ATOM 0 H1 MET A 1 -13.752 1.596 -4.855 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.419 3.104 -5.561 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.146 2.050 -5.170 1.00 9.67 H new ATOM 0 HA MET A 1 -13.778 3.749 -3.419 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.341 2.406 -1.504 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.099 1.368 -2.696 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.863 0.410 -3.261 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.132 1.423 -2.032 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.455 -0.698 0.281 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.460 -1.719 -1.177 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.069 0.012 -1.304 1.00 16.11 H new ATOM 20 N GLN A 2 -11.642 4.725 -2.505 1.00 9.27 N ATOM 21 CA GLN A 2 -10.477 5.510 -2.235 1.00 9.07 C ATOM 22 C GLN A 2 -9.857 4.953 -1.001 1.00 8.72 C ATOM 23 O GLN A 2 -10.544 4.526 -0.074 1.00 8.22 O ATOM 24 CB GLN A 2 -10.852 6.969 -1.922 1.00 14.46 C ATOM 25 CG GLN A 2 -11.022 7.874 -3.144 1.00 17.01 C ATOM 26 CD GLN A 2 -12.483 8.067 -3.525 1.00 20.10 C ATOM 27 OE1 GLN A 2 -13.288 8.174 -2.601 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.846 8.154 -4.833 1.00 19.49 N ATOM 0 H GLN A 2 -12.458 5.024 -1.971 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.817 5.484 -3.102 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.782 6.974 -1.354 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.082 7.395 -1.278 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.572 8.845 -2.939 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.483 7.445 -3.988 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.142 8.059 -5.565 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.822 8.315 -5.082 1.00 19.49 H new ATOM 37 N ILE A 3 -8.513 4.893 -0.998 1.00 5.87 N ATOM 38 CA ILE A 3 -7.735 4.439 0.113 1.00 5.07 C ATOM 39 C ILE A 3 -6.573 5.354 0.291 1.00 4.01 C ATOM 40 O ILE A 3 -6.125 5.971 -0.675 1.00 4.61 O ATOM 41 CB ILE A 3 -7.233 3.034 -0.041 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.397 2.819 -1.314 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.425 2.063 -0.029 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.385 1.699 -1.078 1.00 10.83 C ATOM 0 H ILE A 3 -7.947 5.171 -1.800 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.390 4.445 0.985 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.568 2.840 0.801 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.048 2.565 -2.150 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.880 3.740 -1.582 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.063 1.041 -0.141 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.961 2.157 0.915 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.097 2.302 -0.853 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.793 1.547 -1.981 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.726 1.972 -0.254 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.913 0.778 -0.831 1.00 10.83 H new ATOM 56 N PHE A 4 -5.982 5.424 1.497 1.00 4.55 N ATOM 57 CA PHE A 4 -4.885 6.318 1.704 1.00 4.68 C ATOM 58 C PHE A 4 -3.728 5.406 1.922 1.00 5.30 C ATOM 59 O PHE A 4 -3.727 4.419 2.655 1.00 5.58 O ATOM 60 CB PHE A 4 -5.162 7.152 2.966 1.00 4.83 C ATOM 61 CG PHE A 4 -6.287 8.105 2.749 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.073 9.158 1.892 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.499 7.846 3.344 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.134 10.024 1.771 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.529 8.746 3.205 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.339 9.851 2.410 1.00 8.90 C ATOM 0 H PHE A 4 -6.255 4.875 2.312 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.715 7.013 0.882 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.400 6.489 3.798 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.264 7.703 3.244 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.145 9.294 1.356 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.641 6.942 3.917 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.014 10.890 1.137 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -9.470 8.588 3.711 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.129 10.577 2.288 1.00 8.90 H new ATOM 76 N VAL A 5 -2.571 5.648 1.280 1.00 4.44 N ATOM 77 CA VAL A 5 -1.332 5.027 1.635 1.00 3.87 C ATOM 78 C VAL A 5 -0.518 6.058 2.340 1.00 4.93 C ATOM 79 O VAL A 5 -0.453 7.157 1.792 1.00 6.84 O ATOM 80 CB VAL A 5 -0.754 4.422 0.391 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.491 3.625 0.815 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.691 3.577 -0.488 1.00 9.13 C ATOM 0 H VAL A 5 -2.495 6.293 0.493 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.408 4.194 2.333 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.522 5.252 -0.276 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.945 3.166 -0.063 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.209 4.296 1.286 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.202 2.848 1.522 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.141 3.203 -1.352 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.073 2.736 0.091 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.525 4.192 -0.827 1.00 9.13 H new ATOM 92 N LYS A 6 -0.129 5.775 3.595 1.00 6.04 N ATOM 93 CA LYS A 6 0.410 6.846 4.375 1.00 6.12 C ATOM 94 C LYS A 6 1.885 6.650 4.463 1.00 6.57 C ATOM 95 O LYS A 6 2.406 5.677 5.006 1.00 5.76 O ATOM 96 CB LYS A 6 -0.180 7.047 5.781 1.00 7.45 C ATOM 97 CG LYS A 6 0.503 7.946 6.814 1.00 11.12 C ATOM 98 CD LYS A 6 -0.043 7.803 8.236 1.00 14.54 C ATOM 99 CE LYS A 6 0.741 8.689 9.206 1.00 18.84 C ATOM 100 NZ LYS A 6 0.672 10.117 8.823 1.00 20.55 N ATOM 0 H LYS A 6 -0.181 4.863 4.050 1.00 6.04 H new ATOM 0 HA LYS A 6 0.130 7.761 3.853 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.192 7.429 5.648 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.269 6.058 6.231 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.570 7.723 6.823 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.398 8.984 6.500 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.098 8.078 8.256 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.021 6.762 8.553 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.346 8.563 10.214 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.783 8.369 9.230 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.988 10.706 9.620 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.288 10.286 8.002 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.308 10.364 8.578 1.00 20.55 H new ATOM 114 N THR A 7 2.584 7.634 3.869 1.00 7.41 N ATOM 115 CA THR A 7 3.987 7.584 3.599 1.00 7.48 C ATOM 116 C THR A 7 4.633 8.398 4.666 1.00 8.75 C ATOM 117 O THR A 7 4.216 9.529 4.912 1.00 8.58 O ATOM 118 CB THR A 7 4.464 7.817 2.196 1.00 9.61 C ATOM 119 OG1 THR A 7 3.405 7.497 1.305 1.00 11.78 O ATOM 120 CG2 THR A 7 5.746 7.093 1.753 1.00 9.17 C ATOM 0 H THR A 7 2.150 8.505 3.563 1.00 7.41 H new ATOM 0 HA THR A 7 4.311 6.544 3.641 1.00 7.48 H new ATOM 0 HB THR A 7 4.748 8.869 2.171 1.00 9.61 H new ATOM 0 HG1 THR A 7 2.792 8.259 1.239 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.972 7.353 0.719 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.575 7.396 2.393 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.601 6.016 1.833 1.00 9.17 H new ATOM 128 N LEU A 8 5.628 7.870 5.401 1.00 9.84 N ATOM 129 CA LEU A 8 6.260 8.588 6.464 1.00 14.15 C ATOM 130 C LEU A 8 7.329 9.432 5.860 1.00 17.37 C ATOM 131 O LEU A 8 7.384 10.646 6.051 1.00 17.01 O ATOM 132 CB LEU A 8 6.982 7.630 7.426 1.00 16.63 C ATOM 133 CG LEU A 8 6.115 6.835 8.417 1.00 18.88 C ATOM 134 CD1 LEU A 8 5.337 5.686 7.755 1.00 18.59 C ATOM 135 CD2 LEU A 8 7.104 6.255 9.444 1.00 19.31 C ATOM 0 H LEU A 8 5.999 6.931 5.255 1.00 9.84 H new ATOM 0 HA LEU A 8 5.500 9.158 6.998 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.550 6.917 6.828 1.00 16.63 H new ATOM 0 HB3 LEU A 8 7.704 8.210 8.001 1.00 16.63 H new ATOM 0 HG LEU A 8 5.361 7.489 8.856 1.00 18.88 H new ATOM 0 HD11 LEU A 8 4.746 5.165 8.508 1.00 18.59 H new ATOM 0 HD12 LEU A 8 4.675 6.089 6.989 1.00 18.59 H new ATOM 0 HD13 LEU A 8 6.038 4.988 7.298 1.00 18.59 H new ATOM 0 HD21 LEU A 8 6.558 5.673 10.186 1.00 19.31 H new ATOM 0 HD22 LEU A 8 7.822 5.612 8.935 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.634 7.069 9.939 1.00 19.31 H new ATOM 147 N THR A 9 8.192 8.846 5.011 1.00 18.33 N ATOM 148 CA THR A 9 9.121 9.667 4.299 1.00 19.24 C ATOM 149 C THR A 9 8.635 10.041 2.941 1.00 19.48 C ATOM 150 O THR A 9 9.072 9.584 1.886 1.00 23.14 O ATOM 151 CB THR A 9 10.500 9.097 4.141 1.00 18.97 C ATOM 152 OG1 THR A 9 10.984 8.547 5.357 1.00 20.24 O ATOM 153 CG2 THR A 9 11.512 10.174 3.715 1.00 19.70 C ATOM 0 H THR A 9 8.248 7.845 4.822 1.00 18.33 H new ATOM 0 HA THR A 9 9.192 10.542 4.945 1.00 19.24 H new ATOM 0 HB THR A 9 10.411 8.324 3.377 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.883 8.184 5.217 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.499 9.724 3.610 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.206 10.604 2.761 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.549 10.958 4.471 1.00 19.70 H new ATOM 161 N GLY A 10 7.683 10.991 2.905 1.00 19.43 N ATOM 162 CA GLY A 10 6.923 11.259 1.723 1.00 18.74 C ATOM 163 C GLY A 10 5.704 12.047 2.059 1.00 17.62 C ATOM 164 O GLY A 10 5.841 13.183 2.510 1.00 19.74 O ATOM 0 H GLY A 10 7.438 11.578 3.702 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.534 11.809 1.007 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.638 10.322 1.245 1.00 18.74 H new ATOM 168 N LYS A 11 4.447 11.575 1.983 1.00 13.56 N ATOM 169 CA LYS A 11 3.212 12.224 2.296 1.00 11.91 C ATOM 170 C LYS A 11 2.150 11.192 2.135 1.00 10.18 C ATOM 171 O LYS A 11 2.395 10.034 1.799 1.00 9.10 O ATOM 172 CB LYS A 11 2.976 13.433 1.375 1.00 13.43 C ATOM 173 CG LYS A 11 3.353 13.044 -0.056 1.00 16.69 C ATOM 174 CD LYS A 11 3.139 14.244 -0.981 1.00 17.92 C ATOM 175 CE LYS A 11 2.764 13.893 -2.422 1.00 20.81 C ATOM 176 NZ LYS A 11 3.940 13.530 -3.243 1.00 21.93 N ATOM 0 H LYS A 11 4.281 10.621 1.662 1.00 13.56 H new ATOM 0 HA LYS A 11 3.215 12.620 3.312 1.00 11.91 H new ATOM 0 HB2 LYS A 11 1.932 13.743 1.419 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.575 14.282 1.706 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.393 12.722 -0.095 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.746 12.202 -0.388 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.354 14.872 -0.560 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.051 14.840 -0.994 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.058 13.063 -2.418 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.255 14.742 -2.878 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.671 13.516 -4.248 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.695 14.230 -3.096 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.281 12.588 -2.963 1.00 21.93 H new ATOM 190 N THR A 12 0.883 11.544 2.415 1.00 9.63 N ATOM 191 CA THR A 12 -0.208 10.622 2.362 1.00 9.85 C ATOM 192 C THR A 12 -0.857 10.804 1.034 1.00 11.66 C ATOM 193 O THR A 12 -1.300 11.900 0.692 1.00 12.33 O ATOM 194 CB THR A 12 -1.248 10.938 3.396 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.585 11.011 4.650 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.309 9.825 3.435 1.00 9.63 C ATOM 0 H THR A 12 0.611 12.489 2.684 1.00 9.63 H new ATOM 0 HA THR A 12 0.169 9.614 2.533 1.00 9.85 H new ATOM 0 HB THR A 12 -1.749 11.878 3.163 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.236 11.219 5.353 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.059 10.064 4.189 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.788 9.744 2.459 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.833 8.877 3.685 1.00 9.63 H new ATOM 204 N ILE A 13 -0.929 9.712 0.253 1.00 10.42 N ATOM 205 CA ILE A 13 -1.491 9.681 -1.062 1.00 11.84 C ATOM 206 C ILE A 13 -2.804 8.980 -0.994 1.00 10.55 C ATOM 207 O ILE A 13 -2.992 7.977 -0.307 1.00 11.92 O ATOM 208 CB ILE A 13 -0.519 8.996 -1.977 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.052 7.660 -1.474 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.668 9.948 -2.202 1.00 17.08 C ATOM 211 CD1 ILE A 13 0.540 6.862 -2.682 1.00 16.46 C ATOM 0 H ILE A 13 -0.577 8.803 0.554 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.667 10.682 -1.455 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.084 8.760 -2.879 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.873 7.836 -0.778 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.711 7.101 -0.932 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.393 9.476 -2.865 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.312 10.873 -2.654 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.142 10.171 -1.246 1.00 17.08 H new ATOM 0 HD11 ILE A 13 0.950 5.909 -2.347 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -0.294 6.680 -3.359 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.314 7.427 -3.203 1.00 16.46 H new ATOM 223 N THR A 14 -3.687 9.438 -1.899 1.00 9.39 N ATOM 224 CA THR A 14 -5.052 9.028 -2.012 1.00 9.63 C ATOM 225 C THR A 14 -5.120 8.270 -3.293 1.00 11.20 C ATOM 226 O THR A 14 -4.848 8.816 -4.361 1.00 11.63 O ATOM 227 CB THR A 14 -5.972 10.196 -2.211 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.824 10.968 -1.028 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.447 9.806 -2.411 1.00 11.66 C ATOM 0 H THR A 14 -3.431 10.138 -2.595 1.00 9.39 H new ATOM 0 HA THR A 14 -5.343 8.481 -1.115 1.00 9.63 H new ATOM 0 HB THR A 14 -5.709 10.730 -3.124 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.892 10.383 -0.245 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.046 10.706 -2.548 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.539 9.171 -3.292 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.802 9.264 -1.535 1.00 11.66 H new ATOM 237 N LEU A 15 -5.357 6.948 -3.226 1.00 8.29 N ATOM 238 CA LEU A 15 -5.447 6.111 -4.382 1.00 9.03 C ATOM 239 C LEU A 15 -6.829 5.604 -4.612 1.00 8.59 C ATOM 240 O LEU A 15 -7.624 5.318 -3.718 1.00 7.79 O ATOM 241 CB LEU A 15 -4.548 4.866 -4.300 1.00 11.08 C ATOM 242 CG LEU A 15 -3.042 5.170 -4.242 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.272 3.872 -3.946 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.523 5.731 -5.577 1.00 15.88 C ATOM 0 H LEU A 15 -5.489 6.448 -2.347 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.125 6.761 -5.196 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.824 4.292 -3.416 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.745 4.233 -5.165 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.887 5.913 -3.460 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.204 4.084 -3.904 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.599 3.465 -2.989 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.467 3.145 -4.735 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.455 5.933 -5.496 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.695 5.003 -6.369 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.050 6.655 -5.813 1.00 15.88 H new ATOM 256 N GLU A 16 -7.258 5.501 -5.883 1.00 11.04 N ATOM 257 CA GLU A 16 -8.507 4.890 -6.214 1.00 11.50 C ATOM 258 C GLU A 16 -8.281 3.477 -6.628 1.00 10.13 C ATOM 259 O GLU A 16 -7.560 3.086 -7.545 1.00 9.83 O ATOM 260 CB GLU A 16 -9.146 5.670 -7.375 1.00 17.22 C ATOM 261 CG GLU A 16 -9.920 6.903 -6.905 1.00 23.33 C ATOM 262 CD GLU A 16 -10.607 7.587 -8.080 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.909 8.336 -8.814 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.783 7.277 -8.410 1.00 28.90 O ATOM 0 H GLU A 16 -6.734 5.845 -6.688 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.167 4.905 -5.347 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.367 5.979 -8.071 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.819 5.011 -7.923 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.663 6.611 -6.163 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.240 7.602 -6.418 1.00 23.33 H new ATOM 271 N VAL A 17 -8.857 2.546 -5.848 1.00 8.99 N ATOM 272 CA VAL A 17 -8.626 1.140 -5.971 1.00 8.85 C ATOM 273 C VAL A 17 -9.948 0.454 -6.007 1.00 8.04 C ATOM 274 O VAL A 17 -10.946 0.859 -5.414 1.00 8.99 O ATOM 275 CB VAL A 17 -7.811 0.508 -4.881 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.405 1.129 -4.908 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.406 0.570 -3.464 1.00 10.54 C ATOM 0 H VAL A 17 -9.510 2.782 -5.101 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.041 1.023 -6.883 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.792 -0.560 -5.100 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.795 0.683 -4.122 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.943 0.941 -5.877 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.479 2.204 -4.744 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.729 0.082 -2.763 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.542 1.611 -3.172 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.370 0.061 -3.451 1.00 10.54 H new ATOM 287 N GLU A 18 -9.978 -0.730 -6.646 1.00 7.29 N ATOM 288 CA GLU A 18 -11.109 -1.604 -6.676 1.00 7.08 C ATOM 289 C GLU A 18 -10.811 -2.745 -5.765 1.00 6.45 C ATOM 290 O GLU A 18 -9.619 -3.050 -5.767 1.00 5.28 O ATOM 291 CB GLU A 18 -11.329 -2.127 -8.105 1.00 10.28 C ATOM 292 CG GLU A 18 -12.423 -3.181 -8.286 1.00 12.65 C ATOM 293 CD GLU A 18 -12.498 -3.774 -9.685 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.011 -3.131 -10.653 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.026 -4.904 -9.865 1.00 14.33 O ATOM 0 H GLU A 18 -9.178 -1.093 -7.164 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.010 -1.078 -6.360 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.564 -1.278 -8.747 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.389 -2.546 -8.463 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.256 -3.987 -7.571 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.386 -2.733 -8.042 1.00 12.65 H new ATOM 302 N PRO A 19 -11.678 -3.256 -4.943 1.00 7.24 N ATOM 303 CA PRO A 19 -11.289 -4.016 -3.791 1.00 7.07 C ATOM 304 C PRO A 19 -10.825 -5.392 -4.129 1.00 6.65 C ATOM 305 O PRO A 19 -10.241 -6.020 -3.247 1.00 6.37 O ATOM 306 CB PRO A 19 -12.522 -4.041 -2.891 1.00 7.61 C ATOM 307 CG PRO A 19 -13.713 -3.731 -3.810 1.00 8.16 C ATOM 308 CD PRO A 19 -13.024 -2.735 -4.756 1.00 7.49 C ATOM 0 HA PRO A 19 -10.431 -3.559 -3.298 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.639 -5.014 -2.413 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.440 -3.302 -2.094 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.088 -4.614 -4.327 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.556 -3.292 -3.276 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.554 -2.663 -5.706 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.003 -1.734 -4.326 1.00 7.49 H new ATOM 316 N SER A 20 -11.031 -5.784 -5.399 1.00 6.80 N ATOM 317 CA SER A 20 -10.723 -7.090 -5.892 1.00 6.28 C ATOM 318 C SER A 20 -9.301 -7.261 -6.305 1.00 8.45 C ATOM 319 O SER A 20 -8.733 -8.351 -6.341 1.00 7.26 O ATOM 320 CB SER A 20 -11.528 -7.288 -7.187 1.00 8.57 C ATOM 321 OG SER A 20 -12.926 -7.202 -6.951 1.00 11.13 O ATOM 0 H SER A 20 -11.427 -5.168 -6.109 1.00 6.80 H new ATOM 0 HA SER A 20 -10.947 -7.788 -5.085 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.235 -6.534 -7.918 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.290 -8.260 -7.619 1.00 8.57 H new ATOM 0 HG SER A 20 -13.409 -7.330 -7.794 1.00 11.13 H new ATOM 327 N ASP A 21 -8.599 -6.146 -6.578 1.00 7.50 N ATOM 328 CA ASP A 21 -7.312 -6.229 -7.195 1.00 7.70 C ATOM 329 C ASP A 21 -6.281 -6.446 -6.142 1.00 7.08 C ATOM 330 O ASP A 21 -6.554 -6.267 -4.956 1.00 8.11 O ATOM 331 CB ASP A 21 -7.019 -4.977 -8.040 1.00 11.00 C ATOM 332 CG ASP A 21 -7.966 -4.791 -9.217 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.921 -5.588 -9.418 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.754 -3.746 -9.887 1.00 18.03 O ATOM 0 H ASP A 21 -8.918 -5.199 -6.375 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.291 -7.075 -7.882 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.075 -4.097 -7.399 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.997 -5.035 -8.414 1.00 11.00 H new ATOM 339 N THR A 22 -5.074 -6.955 -6.446 1.00 5.37 N ATOM 340 CA THR A 22 -4.101 -7.443 -5.518 1.00 6.01 C ATOM 341 C THR A 22 -3.371 -6.301 -4.900 1.00 8.01 C ATOM 342 O THR A 22 -3.341 -5.190 -5.426 1.00 8.11 O ATOM 343 CB THR A 22 -3.105 -8.434 -6.042 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.340 -7.986 -7.151 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.901 -9.668 -6.500 1.00 9.65 C ATOM 0 H THR A 22 -4.756 -7.031 -7.412 1.00 5.37 H new ATOM 0 HA THR A 22 -4.692 -8.000 -4.791 1.00 6.01 H new ATOM 0 HB THR A 22 -2.396 -8.626 -5.237 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.718 -8.692 -7.426 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.215 -10.419 -6.891 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.449 -10.082 -5.654 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.604 -9.378 -7.281 1.00 9.65 H new ATOM 353 N ILE A 23 -2.665 -6.524 -3.777 1.00 8.32 N ATOM 354 CA ILE A 23 -1.831 -5.555 -3.137 1.00 9.92 C ATOM 355 C ILE A 23 -0.695 -5.195 -4.031 1.00 10.01 C ATOM 356 O ILE A 23 -0.380 -4.009 -4.105 1.00 8.71 O ATOM 357 CB ILE A 23 -1.406 -6.116 -1.812 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.630 -6.381 -0.920 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.496 -5.155 -1.029 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.757 -5.349 -0.923 1.00 12.30 C ATOM 0 H ILE A 23 -2.676 -7.422 -3.293 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.363 -4.623 -2.948 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.865 -7.034 -2.041 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.055 -7.341 -1.213 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.278 -6.488 0.106 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.218 -5.610 -0.078 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.403 -4.951 -1.610 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.027 -4.222 -0.843 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.549 -5.673 -0.248 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.369 -4.386 -0.592 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.158 -5.251 -1.932 1.00 12.30 H new ATOM 372 N GLU A 24 -0.092 -6.134 -4.782 1.00 9.54 N ATOM 373 CA GLU A 24 0.784 -5.967 -5.900 1.00 11.81 C ATOM 374 C GLU A 24 0.345 -4.952 -6.898 1.00 11.14 C ATOM 375 O GLU A 24 1.186 -4.258 -7.467 1.00 10.62 O ATOM 376 CB GLU A 24 1.164 -7.302 -6.563 1.00 19.24 C ATOM 377 CG GLU A 24 2.263 -7.319 -7.627 1.00 27.76 C ATOM 378 CD GLU A 24 3.665 -7.258 -7.038 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.968 -6.567 -6.029 1.00 36.51 O ATOM 380 OE2 GLU A 24 4.494 -7.975 -7.661 1.00 34.80 O ATOM 0 H GLU A 24 -0.238 -7.123 -4.579 1.00 9.54 H new ATOM 0 HA GLU A 24 1.691 -5.550 -5.462 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.463 -7.989 -5.771 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.262 -7.712 -7.016 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.166 -8.224 -8.226 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.121 -6.474 -8.301 1.00 27.76 H new ATOM 387 N ASN A 25 -0.961 -4.801 -7.186 1.00 9.43 N ATOM 388 CA ASN A 25 -1.526 -3.781 -8.013 1.00 10.96 C ATOM 389 C ASN A 25 -1.478 -2.467 -7.312 1.00 9.68 C ATOM 390 O ASN A 25 -1.041 -1.491 -7.920 1.00 9.33 O ATOM 391 CB ASN A 25 -2.965 -4.034 -8.494 1.00 16.78 C ATOM 392 CG ASN A 25 -3.001 -4.850 -9.777 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.369 -4.357 -10.842 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.453 -6.088 -9.650 1.00 24.70 N ATOM 0 H ASN A 25 -1.668 -5.435 -6.815 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.907 -3.786 -8.910 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.521 -4.557 -7.716 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.466 -3.080 -8.657 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.324 -6.675 -10.474 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.171 -6.429 -8.731 1.00 24.70 H new ATOM 401 N VAL A 26 -1.825 -2.340 -6.019 1.00 6.52 N ATOM 402 CA VAL A 26 -1.698 -1.181 -5.191 1.00 5.53 C ATOM 403 C VAL A 26 -0.300 -0.667 -5.140 1.00 4.42 C ATOM 404 O VAL A 26 -0.003 0.520 -5.258 1.00 3.40 O ATOM 405 CB VAL A 26 -2.292 -1.422 -3.835 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.513 -0.074 -3.127 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.639 -2.164 -3.852 1.00 8.12 C ATOM 0 H VAL A 26 -2.232 -3.123 -5.508 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.277 -0.380 -5.650 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.577 -2.058 -3.313 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.945 -0.247 -2.141 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.559 0.441 -3.020 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.193 0.540 -3.718 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.995 -2.295 -2.830 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.367 -1.583 -4.418 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.511 -3.140 -4.320 1.00 8.12 H new ATOM 417 N LYS A 27 0.706 -1.550 -5.006 1.00 2.64 N ATOM 418 CA LYS A 27 2.094 -1.217 -5.084 1.00 4.14 C ATOM 419 C LYS A 27 2.514 -0.686 -6.412 1.00 5.58 C ATOM 420 O LYS A 27 3.399 0.161 -6.509 1.00 4.11 O ATOM 421 CB LYS A 27 2.952 -2.418 -4.651 1.00 3.97 C ATOM 422 CG LYS A 27 2.751 -2.871 -3.204 1.00 7.45 C ATOM 423 CD LYS A 27 3.188 -4.327 -3.028 1.00 9.02 C ATOM 424 CE LYS A 27 4.598 -4.613 -3.548 1.00 12.90 C ATOM 425 NZ LYS A 27 4.806 -6.078 -3.576 1.00 15.47 N ATOM 0 H LYS A 27 0.543 -2.542 -4.835 1.00 2.64 H new ATOM 0 HA LYS A 27 2.259 -0.394 -4.389 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.734 -3.257 -5.312 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.002 -2.164 -4.793 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.324 -2.230 -2.534 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.702 -2.765 -2.927 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.141 -4.586 -1.970 1.00 9.02 H new ATOM 0 HD3 LYS A 27 2.481 -4.975 -3.546 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.725 -4.194 -4.546 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.341 -4.138 -2.907 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.823 -6.286 -3.508 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.309 -6.515 -2.773 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.432 -6.465 -4.466 1.00 15.47 H new ATOM 439 N ALA A 28 1.821 -1.034 -7.512 1.00 6.61 N ATOM 440 CA ALA A 28 2.142 -0.517 -8.806 1.00 7.74 C ATOM 441 C ALA A 28 1.639 0.884 -8.869 1.00 9.17 C ATOM 442 O ALA A 28 2.302 1.771 -9.405 1.00 11.45 O ATOM 443 CB ALA A 28 1.486 -1.275 -9.971 1.00 7.68 C ATOM 0 H ALA A 28 1.031 -1.680 -7.503 1.00 6.61 H new ATOM 0 HA ALA A 28 3.222 -0.610 -8.920 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.782 -0.818 -10.915 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.808 -2.316 -9.955 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.402 -1.229 -9.870 1.00 7.68 H new ATOM 449 N LYS A 29 0.486 1.184 -8.246 1.00 8.96 N ATOM 450 CA LYS A 29 -0.088 2.493 -8.286 1.00 7.90 C ATOM 451 C LYS A 29 0.630 3.498 -7.452 1.00 6.92 C ATOM 452 O LYS A 29 0.856 4.611 -7.926 1.00 6.87 O ATOM 453 CB LYS A 29 -1.580 2.392 -7.928 1.00 10.28 C ATOM 454 CG LYS A 29 -2.501 1.584 -8.843 1.00 14.94 C ATOM 455 CD LYS A 29 -3.935 1.394 -8.343 1.00 19.69 C ATOM 456 CE LYS A 29 -4.834 0.379 -9.053 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.809 0.776 -10.478 1.00 24.98 N ATOM 0 H LYS A 29 -0.056 0.509 -7.707 1.00 8.96 H new ATOM 0 HA LYS A 29 0.020 2.873 -9.302 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.652 1.966 -6.927 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.976 3.406 -7.872 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.537 2.074 -9.816 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.057 0.601 -8.998 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.883 1.111 -7.292 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.432 2.363 -8.388 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.463 -0.637 -8.920 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.848 0.403 -8.654 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.541 0.250 -10.998 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.994 1.796 -10.557 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.875 0.561 -10.882 1.00 24.98 H new ATOM 471 N ILE A 30 1.151 3.107 -6.276 1.00 4.57 N ATOM 472 CA ILE A 30 2.061 3.864 -5.473 1.00 5.58 C ATOM 473 C ILE A 30 3.388 4.078 -6.117 1.00 7.26 C ATOM 474 O ILE A 30 3.877 5.205 -6.070 1.00 9.46 O ATOM 475 CB ILE A 30 2.380 3.257 -4.139 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.111 2.975 -3.317 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.439 4.001 -3.308 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.372 1.895 -2.269 1.00 2.00 C ATOM 0 H ILE A 30 0.922 2.204 -5.860 1.00 4.57 H new ATOM 0 HA ILE A 30 1.510 4.797 -5.350 1.00 5.58 H new ATOM 0 HB ILE A 30 2.851 2.306 -4.389 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.779 3.890 -2.827 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.306 2.658 -3.980 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.594 3.479 -2.364 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.377 4.036 -3.861 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.098 5.017 -3.109 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.460 1.712 -1.700 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.681 0.975 -2.764 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.161 2.226 -1.594 1.00 2.00 H new ATOM 490 N GLN A 31 3.892 3.104 -6.896 1.00 7.06 N ATOM 491 CA GLN A 31 5.058 3.301 -7.699 1.00 8.67 C ATOM 492 C GLN A 31 4.879 4.369 -8.722 1.00 10.90 C ATOM 493 O GLN A 31 5.678 5.291 -8.881 1.00 9.63 O ATOM 494 CB GLN A 31 5.334 2.007 -8.483 1.00 9.12 C ATOM 495 CG GLN A 31 6.479 1.917 -9.493 1.00 10.76 C ATOM 496 CD GLN A 31 6.531 0.579 -10.216 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.689 -0.300 -10.041 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.607 0.378 -11.024 1.00 14.76 N ATOM 0 H GLN A 31 3.487 2.171 -6.969 1.00 7.06 H new ATOM 0 HA GLN A 31 5.865 3.581 -7.022 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.497 1.219 -7.748 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.418 1.759 -9.019 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.373 2.716 -10.227 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.425 2.082 -8.977 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.293 1.122 -11.154 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.728 -0.516 -11.499 1.00 14.76 H new ATOM 507 N ASP A 32 3.800 4.263 -9.517 1.00 10.93 N ATOM 508 CA ASP A 32 3.409 5.146 -10.572 1.00 14.01 C ATOM 509 C ASP A 32 3.178 6.535 -10.084 1.00 14.04 C ATOM 510 O ASP A 32 3.751 7.481 -10.623 1.00 13.39 O ATOM 511 CB ASP A 32 2.083 4.622 -11.149 1.00 18.01 C ATOM 512 CG ASP A 32 1.812 5.310 -12.479 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.235 6.429 -12.528 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.114 4.716 -13.548 1.00 25.17 O ATOM 0 H ASP A 32 3.144 3.490 -9.411 1.00 10.93 H new ATOM 0 HA ASP A 32 4.208 5.174 -11.313 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.134 3.542 -11.288 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.267 4.816 -10.452 1.00 18.01 H new ATOM 519 N LYS A 33 2.438 6.681 -8.971 1.00 14.22 N ATOM 520 CA LYS A 33 2.185 7.966 -8.397 1.00 14.00 C ATOM 521 C LYS A 33 3.385 8.667 -7.860 1.00 12.37 C ATOM 522 O LYS A 33 3.675 9.801 -8.236 1.00 12.17 O ATOM 523 CB LYS A 33 1.162 7.843 -7.255 1.00 18.62 C ATOM 524 CG LYS A 33 0.823 9.130 -6.500 1.00 24.00 C ATOM 525 CD LYS A 33 0.219 10.196 -7.416 1.00 27.61 C ATOM 526 CE LYS A 33 -0.028 11.505 -6.664 1.00 27.64 C ATOM 527 NZ LYS A 33 1.156 12.105 -6.009 1.00 30.06 N ATOM 0 H LYS A 33 2.012 5.904 -8.466 1.00 14.22 H new ATOM 0 HA LYS A 33 1.810 8.566 -9.226 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.239 7.436 -7.667 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.539 7.115 -6.536 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.122 8.904 -5.697 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.726 9.524 -6.033 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.890 10.378 -8.256 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.720 9.831 -7.832 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.440 12.232 -7.364 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.789 11.327 -5.904 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.931 13.074 -5.707 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.419 11.536 -5.179 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.950 12.127 -6.680 1.00 30.06 H new ATOM 541 N GLU A 34 4.109 8.084 -6.888 1.00 10.11 N ATOM 542 CA GLU A 34 5.103 8.698 -6.064 1.00 10.07 C ATOM 543 C GLU A 34 6.454 8.645 -6.692 1.00 9.32 C ATOM 544 O GLU A 34 7.082 9.698 -6.791 1.00 11.61 O ATOM 545 CB GLU A 34 4.992 8.355 -4.569 1.00 14.77 C ATOM 546 CG GLU A 34 3.703 8.921 -3.970 1.00 18.75 C ATOM 547 CD GLU A 34 3.642 10.430 -3.785 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.612 11.011 -3.228 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.624 11.035 -4.215 1.00 21.95 O ATOM 0 H GLU A 34 3.987 7.097 -6.661 1.00 10.11 H new ATOM 0 HA GLU A 34 4.888 9.766 -6.024 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.013 7.273 -4.438 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.853 8.758 -4.035 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.871 8.622 -4.608 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.544 8.452 -2.999 1.00 18.75 H new ATOM 556 N GLY A 35 6.819 7.485 -7.265 1.00 7.22 N ATOM 557 CA GLY A 35 8.124 7.265 -7.805 1.00 6.29 C ATOM 558 C GLY A 35 8.920 6.413 -6.876 1.00 6.93 C ATOM 559 O GLY A 35 10.132 6.612 -6.819 1.00 7.41 O ATOM 0 H GLY A 35 6.195 6.683 -7.355 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.047 6.783 -8.779 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.628 8.219 -7.960 1.00 6.29 H new ATOM 563 N ILE A 36 8.237 5.534 -6.120 1.00 5.86 N ATOM 564 CA ILE A 36 8.709 4.540 -5.207 1.00 6.07 C ATOM 565 C ILE A 36 8.586 3.196 -5.839 1.00 6.36 C ATOM 566 O ILE A 36 7.495 2.634 -5.934 1.00 6.18 O ATOM 567 CB ILE A 36 8.041 4.525 -3.864 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.932 5.863 -3.114 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.649 3.492 -2.900 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.794 5.905 -2.096 1.00 9.49 C ATOM 0 H ILE A 36 7.218 5.524 -6.158 1.00 5.86 H new ATOM 0 HA ILE A 36 9.747 4.802 -5.004 1.00 6.07 H new ATOM 0 HB ILE A 36 7.027 4.250 -4.153 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.874 6.060 -2.601 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.790 6.665 -3.838 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.123 3.530 -1.946 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.553 2.494 -3.328 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.703 3.719 -2.742 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.779 6.879 -1.607 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.844 5.740 -2.605 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.945 5.126 -1.349 1.00 9.49 H new ATOM 582 N PRO A 37 9.587 2.577 -6.390 1.00 8.65 N ATOM 583 CA PRO A 37 9.478 1.229 -6.868 1.00 9.18 C ATOM 584 C PRO A 37 9.088 0.214 -5.850 1.00 9.85 C ATOM 585 O PRO A 37 9.324 0.450 -4.666 1.00 8.51 O ATOM 586 CB PRO A 37 10.844 0.912 -7.472 1.00 11.42 C ATOM 587 CG PRO A 37 11.573 2.254 -7.643 1.00 9.27 C ATOM 588 CD PRO A 37 10.869 3.209 -6.665 1.00 8.33 C ATOM 0 HA PRO A 37 8.659 1.170 -7.585 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.409 0.245 -6.822 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.735 0.406 -8.431 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.634 2.161 -7.411 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.502 2.615 -8.669 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.450 3.340 -5.752 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.737 4.198 -7.103 1.00 8.33 H new ATOM 596 N PRO A 38 8.600 -0.936 -6.210 1.00 8.71 N ATOM 597 CA PRO A 38 7.916 -1.748 -5.246 1.00 9.08 C ATOM 598 C PRO A 38 8.574 -2.923 -4.611 1.00 9.28 C ATOM 599 O PRO A 38 7.884 -3.666 -3.914 1.00 6.50 O ATOM 600 CB PRO A 38 6.745 -2.293 -6.060 1.00 10.31 C ATOM 601 CG PRO A 38 7.417 -2.549 -7.418 1.00 10.81 C ATOM 602 CD PRO A 38 8.319 -1.315 -7.586 1.00 12.00 C ATOM 0 HA PRO A 38 7.748 -1.105 -4.382 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.332 -3.204 -5.627 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.927 -1.576 -6.134 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.993 -3.474 -7.417 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.686 -2.629 -8.223 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.230 -1.551 -8.135 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.816 -0.517 -8.131 1.00 12.00 H new ATOM 610 N ASP A 39 9.903 -3.030 -4.794 1.00 11.20 N ATOM 611 CA ASP A 39 10.785 -3.659 -3.860 1.00 14.96 C ATOM 612 C ASP A 39 11.223 -2.787 -2.734 1.00 13.99 C ATOM 613 O ASP A 39 11.677 -3.298 -1.712 1.00 13.75 O ATOM 614 CB ASP A 39 12.010 -4.223 -4.601 1.00 24.16 C ATOM 615 CG ASP A 39 12.706 -3.137 -5.408 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.192 -2.685 -6.466 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.745 -2.620 -4.918 1.00 35.55 O ATOM 0 H ASP A 39 10.379 -2.667 -5.620 1.00 11.20 H new ATOM 0 HA ASP A 39 10.208 -4.461 -3.399 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.709 -4.652 -3.882 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.699 -5.031 -5.264 1.00 24.16 H new ATOM 622 N GLN A 40 11.032 -1.456 -2.768 1.00 11.60 N ATOM 623 CA GLN A 40 11.425 -0.637 -1.663 1.00 10.76 C ATOM 624 C GLN A 40 10.260 -0.529 -0.741 1.00 8.01 C ATOM 625 O GLN A 40 10.283 0.086 0.324 1.00 8.96 O ATOM 626 CB GLN A 40 11.811 0.770 -2.151 1.00 11.14 C ATOM 627 CG GLN A 40 13.041 0.623 -3.050 1.00 14.85 C ATOM 628 CD GLN A 40 13.446 1.981 -3.606 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.415 3.017 -2.943 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.815 1.948 -4.914 1.00 18.16 N ATOM 0 H GLN A 40 10.611 -0.952 -3.549 1.00 11.60 H new ATOM 0 HA GLN A 40 12.285 -1.079 -1.161 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.987 1.225 -2.700 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.030 1.423 -1.306 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.866 0.192 -2.483 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.824 -0.064 -3.868 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.824 1.062 -5.419 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.083 2.809 -5.390 1.00 18.16 H new ATOM 639 N GLN A 41 9.112 -1.121 -1.118 1.00 6.52 N ATOM 640 CA GLN A 41 7.938 -0.978 -0.315 1.00 3.87 C ATOM 641 C GLN A 41 7.736 -2.108 0.635 1.00 4.79 C ATOM 642 O GLN A 41 7.702 -3.248 0.176 1.00 6.34 O ATOM 643 CB GLN A 41 6.744 -0.781 -1.265 1.00 4.20 C ATOM 644 CG GLN A 41 6.852 0.384 -2.251 1.00 3.20 C ATOM 645 CD GLN A 41 5.616 0.454 -3.136 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.622 -0.180 -2.783 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.745 1.040 -4.356 1.00 7.13 N ATOM 0 H GLN A 41 8.997 -1.686 -1.959 1.00 6.52 H new ATOM 0 HA GLN A 41 8.046 -0.107 0.331 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.603 -1.700 -1.834 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.847 -0.639 -0.663 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.968 1.320 -1.705 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.742 0.263 -2.869 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.596 1.553 -4.588 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.991 0.967 -5.039 1.00 7.13 H new ATOM 656 N ARG A 42 7.466 -1.761 1.906 1.00 5.73 N ATOM 657 CA ARG A 42 6.967 -2.639 2.918 1.00 6.97 C ATOM 658 C ARG A 42 5.662 -2.042 3.318 1.00 7.15 C ATOM 659 O ARG A 42 5.547 -1.036 4.017 1.00 7.33 O ATOM 660 CB ARG A 42 7.894 -2.695 4.143 1.00 13.23 C ATOM 661 CG ARG A 42 8.976 -3.766 3.995 1.00 21.27 C ATOM 662 CD ARG A 42 9.996 -3.881 5.129 1.00 26.14 C ATOM 663 NE ARG A 42 11.075 -4.845 4.771 1.00 32.26 N ATOM 664 CZ ARG A 42 12.258 -4.928 5.446 1.00 34.32 C ATOM 665 NH1 ARG A 42 12.631 -4.012 6.387 1.00 35.30 N ATOM 666 NH2 ARG A 42 13.035 -5.982 5.060 1.00 36.39 N ATOM 0 H ARG A 42 7.605 -0.810 2.247 1.00 5.73 H new ATOM 0 HA ARG A 42 6.888 -3.660 2.545 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.364 -1.722 4.286 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.303 -2.898 5.036 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.484 -4.732 3.882 1.00 21.27 H new ATOM 0 HG3 ARG A 42 9.518 -3.575 3.069 1.00 21.27 H new ATOM 0 HD2 ARG A 42 10.430 -2.902 5.336 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.497 -4.208 6.042 1.00 26.14 H new ATOM 0 HE ARG A 42 10.922 -5.474 3.983 1.00 32.26 H new ATOM 0 HH11 ARG A 42 12.016 -3.229 6.608 1.00 35.30 H new ATOM 0 HH12 ARG A 42 13.525 -4.111 6.869 1.00 35.30 H new ATOM 0 HH21 ARG A 42 12.709 -6.615 4.330 1.00 36.39 H new ATOM 0 HH22 ARG A 42 13.941 -6.136 5.502 1.00 36.39 H new ATOM 680 N LEU A 43 4.538 -2.622 2.859 1.00 4.65 N ATOM 681 CA LEU A 43 3.229 -2.046 2.889 1.00 3.51 C ATOM 682 C LEU A 43 2.501 -2.674 4.028 1.00 5.56 C ATOM 683 O LEU A 43 2.302 -3.888 4.036 1.00 4.19 O ATOM 684 CB LEU A 43 2.421 -2.331 1.612 1.00 3.74 C ATOM 685 CG LEU A 43 1.487 -1.226 1.092 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.510 -1.791 0.047 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.770 -0.419 2.188 1.00 9.55 C ATOM 0 H LEU A 43 4.545 -3.552 2.441 1.00 4.65 H new ATOM 0 HA LEU A 43 3.335 -0.965 2.982 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.126 -2.575 0.817 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.819 -3.222 1.789 1.00 3.74 H new ATOM 0 HG LEU A 43 2.132 -0.493 0.607 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.143 -0.994 -0.309 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.072 -2.202 -0.792 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.093 -2.578 0.500 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.134 0.336 1.726 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.158 -1.089 2.792 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.509 0.068 2.824 1.00 9.55 H new ATOM 699 N ILE A 44 2.261 -1.888 5.092 1.00 4.58 N ATOM 700 CA ILE A 44 1.981 -2.364 6.412 1.00 5.55 C ATOM 701 C ILE A 44 0.563 -2.026 6.721 1.00 5.46 C ATOM 702 O ILE A 44 0.078 -0.907 6.563 1.00 6.04 O ATOM 703 CB ILE A 44 2.844 -1.650 7.409 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.318 -1.975 7.111 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.412 -1.965 8.851 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.657 -3.465 7.130 1.00 13.90 C ATOM 0 H ILE A 44 2.262 -0.870 5.029 1.00 4.58 H new ATOM 0 HA ILE A 44 2.168 -3.437 6.464 1.00 5.55 H new ATOM 0 HB ILE A 44 2.721 -0.571 7.313 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.575 -1.570 6.132 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.944 -1.464 7.842 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.058 -1.432 9.549 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.379 -1.649 8.999 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.493 -3.037 9.029 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.716 -3.600 6.910 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.436 -3.876 8.115 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.061 -3.983 6.379 1.00 13.90 H new ATOM 718 N PHE A 45 -0.197 -2.972 7.302 1.00 6.75 N ATOM 719 CA PHE A 45 -1.544 -2.679 7.682 1.00 4.70 C ATOM 720 C PHE A 45 -1.584 -3.007 9.135 1.00 6.34 C ATOM 721 O PHE A 45 -1.406 -4.119 9.628 1.00 5.45 O ATOM 722 CB PHE A 45 -2.429 -3.531 6.757 1.00 5.51 C ATOM 723 CG PHE A 45 -3.832 -3.032 6.803 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.121 -1.743 6.421 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.828 -3.906 7.171 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.428 -1.350 6.253 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.127 -3.459 7.114 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.431 -2.194 6.671 1.00 6.84 C ATOM 0 H PHE A 45 0.113 -3.922 7.506 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.899 -1.655 7.569 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.051 -3.488 5.736 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.394 -4.576 7.066 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.320 -1.038 6.253 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.597 -4.910 7.494 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.663 -0.397 5.802 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.926 -4.116 7.424 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.459 -1.862 6.651 1.00 6.84 H new ATOM 738 N ALA A 46 -1.810 -1.935 9.916 1.00 6.53 N ATOM 739 CA ALA A 46 -1.691 -1.882 11.340 1.00 7.15 C ATOM 740 C ALA A 46 -0.304 -2.127 11.825 1.00 9.00 C ATOM 741 O ALA A 46 0.560 -1.262 11.693 1.00 11.15 O ATOM 742 CB ALA A 46 -2.773 -2.671 12.098 1.00 8.99 C ATOM 0 H ALA A 46 -2.097 -1.040 9.521 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.901 -0.844 11.598 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.607 -2.577 13.171 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.756 -2.274 11.846 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.723 -3.722 11.814 1.00 8.99 H new ATOM 748 N GLY A 47 0.051 -3.310 12.358 1.00 9.35 N ATOM 749 CA GLY A 47 1.421 -3.635 12.604 1.00 11.68 C ATOM 750 C GLY A 47 1.789 -5.000 12.135 1.00 11.14 C ATOM 751 O GLY A 47 2.311 -5.803 12.908 1.00 13.93 O ATOM 0 H GLY A 47 -0.611 -4.041 12.618 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.057 -2.902 12.107 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.621 -3.558 13.673 1.00 11.68 H new ATOM 755 N LYS A 48 1.277 -5.378 10.950 1.00 10.47 N ATOM 756 CA LYS A 48 1.439 -6.637 10.293 1.00 8.82 C ATOM 757 C LYS A 48 1.432 -6.346 8.832 1.00 7.68 C ATOM 758 O LYS A 48 0.717 -5.492 8.310 1.00 6.47 O ATOM 759 CB LYS A 48 0.233 -7.565 10.517 1.00 9.74 C ATOM 760 CG LYS A 48 0.209 -8.866 9.712 1.00 14.14 C ATOM 761 CD LYS A 48 -0.836 -9.847 10.245 1.00 16.32 C ATOM 762 CE LYS A 48 -1.054 -10.952 9.209 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.949 -11.987 9.773 1.00 23.92 N ATOM 0 H LYS A 48 0.697 -4.742 10.404 1.00 10.47 H new ATOM 0 HA LYS A 48 2.345 -7.112 10.670 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.191 -7.819 11.576 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.674 -7.006 10.287 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.003 -8.642 8.667 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.194 -9.332 9.745 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.502 -10.277 11.190 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.773 -9.327 10.445 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.490 -10.534 8.302 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.099 -11.396 8.928 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.098 -12.738 9.069 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.516 -12.393 10.627 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.864 -11.558 10.020 1.00 23.92 H new ATOM 777 N GLN A 49 2.319 -6.965 8.033 1.00 8.89 N ATOM 778 CA GLN A 49 2.529 -6.646 6.655 1.00 7.18 C ATOM 779 C GLN A 49 1.438 -7.191 5.799 1.00 8.23 C ATOM 780 O GLN A 49 0.762 -8.139 6.197 1.00 9.70 O ATOM 781 CB GLN A 49 3.913 -7.198 6.274 1.00 11.67 C ATOM 782 CG GLN A 49 4.669 -6.613 5.079 1.00 15.82 C ATOM 783 CD GLN A 49 6.152 -6.957 5.099 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.001 -6.146 5.463 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.412 -8.264 4.827 1.00 20.67 N ATOM 0 H GLN A 49 2.917 -7.723 8.363 1.00 8.89 H new ATOM 0 HA GLN A 49 2.505 -5.568 6.494 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.556 -7.091 7.148 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.797 -8.266 6.092 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.226 -6.986 4.156 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.551 -5.529 5.074 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.658 -8.883 4.529 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.361 -8.626 4.921 1.00 20.67 H new ATOM 794 N LEU A 50 1.232 -6.639 4.591 1.00 6.51 N ATOM 795 CA LEU A 50 0.435 -7.279 3.591 1.00 7.41 C ATOM 796 C LEU A 50 1.238 -8.045 2.597 1.00 8.27 C ATOM 797 O LEU A 50 2.300 -7.580 2.187 1.00 8.34 O ATOM 798 CB LEU A 50 -0.382 -6.334 2.694 1.00 7.13 C ATOM 799 CG LEU A 50 -1.154 -5.245 3.458 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.377 -4.006 2.576 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.541 -5.820 3.793 1.00 8.14 C ATOM 0 H LEU A 50 1.621 -5.741 4.304 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.206 -7.901 4.216 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.291 -5.855 1.983 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.090 -6.925 2.113 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.588 -4.958 4.344 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.925 -3.251 3.140 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.413 -3.600 2.268 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.951 -4.287 1.693 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.122 -5.075 4.337 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.059 -6.081 2.870 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.426 -6.712 4.409 1.00 8.14 H new ATOM 813 N GLU A 51 0.665 -9.152 2.091 1.00 9.43 N ATOM 814 CA GLU A 51 1.332 -9.925 1.090 1.00 11.90 C ATOM 815 C GLU A 51 0.892 -9.547 -0.283 1.00 11.49 C ATOM 816 O GLU A 51 -0.093 -8.833 -0.459 1.00 9.88 O ATOM 817 CB GLU A 51 0.955 -11.394 1.346 1.00 16.56 C ATOM 818 CG GLU A 51 1.101 -11.897 2.783 1.00 26.06 C ATOM 819 CD GLU A 51 0.428 -13.258 2.893 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.976 -14.173 2.223 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.330 -13.540 3.859 1.00 33.44 O ATOM 0 H GLU A 51 -0.249 -9.508 2.371 1.00 9.43 H new ATOM 0 HA GLU A 51 2.407 -9.753 1.148 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.080 -11.539 1.038 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.570 -12.021 0.701 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.155 -11.973 3.052 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.645 -11.192 3.478 1.00 26.06 H new ATOM 828 N ASP A 52 1.563 -9.977 -1.366 1.00 12.71 N ATOM 829 CA ASP A 52 1.472 -9.444 -2.690 1.00 16.56 C ATOM 830 C ASP A 52 0.325 -9.963 -3.489 1.00 15.83 C ATOM 831 O ASP A 52 -0.451 -9.213 -4.078 1.00 17.21 O ATOM 832 CB ASP A 52 2.823 -9.705 -3.377 1.00 21.05 C ATOM 833 CG ASP A 52 4.053 -9.223 -2.622 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.083 -8.097 -2.057 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.089 -9.929 -2.743 1.00 25.82 O ATOM 0 H ASP A 52 2.219 -10.756 -1.311 1.00 12.71 H new ATOM 0 HA ASP A 52 1.265 -8.376 -2.622 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.921 -10.777 -3.548 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.810 -9.226 -4.356 1.00 21.05 H new ATOM 840 N GLY A 53 0.068 -11.283 -3.508 1.00 15.00 N ATOM 841 CA GLY A 53 -0.956 -11.894 -4.297 1.00 11.77 C ATOM 842 C GLY A 53 -2.226 -12.068 -3.538 1.00 11.10 C ATOM 843 O GLY A 53 -3.016 -12.968 -3.819 1.00 11.25 O ATOM 0 H GLY A 53 0.597 -11.953 -2.949 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.144 -11.284 -5.180 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.609 -12.866 -4.649 1.00 11.77 H new ATOM 847 N ARG A 54 -2.491 -11.213 -2.534 1.00 8.53 N ATOM 848 CA ARG A 54 -3.716 -11.148 -1.799 1.00 9.05 C ATOM 849 C ARG A 54 -4.517 -9.950 -2.178 1.00 8.96 C ATOM 850 O ARG A 54 -3.899 -9.059 -2.760 1.00 11.60 O ATOM 851 CB ARG A 54 -3.447 -11.234 -0.287 1.00 7.97 C ATOM 852 CG ARG A 54 -2.876 -12.604 0.082 1.00 9.62 C ATOM 853 CD ARG A 54 -2.605 -12.901 1.558 1.00 12.20 C ATOM 854 NE ARG A 54 -3.910 -12.929 2.276 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.046 -13.115 3.622 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.973 -13.167 4.464 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.278 -13.236 4.196 1.00 25.50 N ATOM 0 H ARG A 54 -1.808 -10.525 -2.217 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.324 -12.013 -2.063 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.748 -10.451 0.008 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.372 -11.060 0.263 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.565 -13.363 -0.289 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.939 -12.731 -0.461 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.092 -13.857 1.665 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -1.953 -12.139 1.985 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.759 -12.801 1.725 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.028 -13.065 4.093 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.116 -13.308 5.464 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.117 -13.188 3.618 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.360 -13.375 5.203 1.00 25.50 H new ATOM 871 N THR A 55 -5.807 -9.819 -1.821 1.00 9.05 N ATOM 872 CA THR A 55 -6.606 -8.719 -2.266 1.00 9.03 C ATOM 873 C THR A 55 -6.805 -7.714 -1.185 1.00 8.15 C ATOM 874 O THR A 55 -6.477 -7.999 -0.034 1.00 5.91 O ATOM 875 CB THR A 55 -7.877 -9.233 -2.875 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.741 -9.875 -1.949 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.507 -10.305 -3.914 1.00 11.71 C ATOM 0 H THR A 55 -6.300 -10.480 -1.220 1.00 9.05 H new ATOM 0 HA THR A 55 -6.080 -8.175 -3.051 1.00 9.03 H new ATOM 0 HB THR A 55 -8.393 -8.365 -3.287 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.621 -9.443 -1.969 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.415 -10.696 -4.373 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.873 -9.863 -4.683 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.970 -11.117 -3.424 1.00 11.71 H new ATOM 885 N LEU A 56 -7.484 -6.588 -1.470 1.00 6.91 N ATOM 886 CA LEU A 56 -7.843 -5.638 -0.463 1.00 8.29 C ATOM 887 C LEU A 56 -8.900 -6.280 0.367 1.00 8.05 C ATOM 888 O LEU A 56 -8.989 -6.204 1.592 1.00 10.17 O ATOM 889 CB LEU A 56 -8.324 -4.328 -1.110 1.00 6.60 C ATOM 890 CG LEU A 56 -7.213 -3.694 -1.964 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.684 -3.247 -3.358 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.431 -2.622 -1.186 1.00 9.85 C ATOM 0 H LEU A 56 -7.787 -6.334 -2.410 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.992 -5.369 0.163 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.198 -4.525 -1.731 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.635 -3.628 -0.334 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.496 -4.487 -2.177 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.847 -2.810 -3.902 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.064 -4.109 -3.907 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.476 -2.505 -3.254 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.656 -2.200 -1.826 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.112 -1.831 -0.872 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.970 -3.074 -0.308 1.00 9.85 H new ATOM 904 N SER A 57 -9.818 -6.991 -0.312 1.00 8.92 N ATOM 905 CA SER A 57 -10.988 -7.528 0.311 1.00 9.00 C ATOM 906 C SER A 57 -10.674 -8.773 1.067 1.00 9.44 C ATOM 907 O SER A 57 -11.484 -9.232 1.870 1.00 10.91 O ATOM 908 CB SER A 57 -12.100 -7.769 -0.724 1.00 10.32 C ATOM 909 OG SER A 57 -11.789 -8.789 -1.662 1.00 13.59 O ATOM 0 H SER A 57 -9.747 -7.196 -1.309 1.00 8.92 H new ATOM 0 HA SER A 57 -11.353 -6.792 1.028 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.020 -8.034 -0.202 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.294 -6.840 -1.260 1.00 10.32 H new ATOM 0 HG SER A 57 -12.534 -8.894 -2.290 1.00 13.59 H new ATOM 915 N ASP A 58 -9.487 -9.403 1.024 1.00 9.11 N ATOM 916 CA ASP A 58 -8.973 -10.527 1.745 1.00 7.91 C ATOM 917 C ASP A 58 -8.666 -9.991 3.101 1.00 9.12 C ATOM 918 O ASP A 58 -9.201 -10.460 4.104 1.00 8.61 O ATOM 919 CB ASP A 58 -7.711 -10.957 0.979 1.00 8.41 C ATOM 920 CG ASP A 58 -6.975 -12.210 1.435 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.184 -12.716 2.569 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.073 -12.697 0.703 1.00 10.05 O ATOM 0 H ASP A 58 -8.777 -9.063 0.375 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.636 -11.387 1.836 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.989 -11.098 -0.065 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.005 -10.127 1.012 1.00 8.41 H new ATOM 927 N TYR A 59 -7.919 -8.879 3.225 1.00 7.97 N ATOM 928 CA TYR A 59 -7.634 -8.357 4.526 1.00 8.45 C ATOM 929 C TYR A 59 -8.731 -7.519 5.085 1.00 10.98 C ATOM 930 O TYR A 59 -8.625 -7.057 6.219 1.00 12.95 O ATOM 931 CB TYR A 59 -6.345 -7.533 4.685 1.00 7.94 C ATOM 932 CG TYR A 59 -5.144 -8.346 4.345 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.533 -9.011 5.382 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.466 -8.373 3.149 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.354 -9.699 5.224 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.223 -8.917 2.924 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.728 -9.612 4.002 1.00 6.76 C ATOM 938 OH TYR A 59 -1.603 -10.427 3.756 1.00 7.63 O ATOM 0 H TYR A 59 -7.521 -8.353 2.447 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.510 -9.291 5.074 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.389 -6.656 4.040 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.265 -7.171 5.710 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.997 -8.992 6.357 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.959 -7.922 2.301 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.935 -10.285 6.028 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.688 -8.809 1.992 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.488 -11.058 4.497 1.00 7.63 H new ATOM 948 N ASN A 60 -9.724 -7.188 4.239 1.00 12.38 N ATOM 949 CA ASN A 60 -10.839 -6.355 4.565 1.00 13.94 C ATOM 950 C ASN A 60 -10.393 -4.941 4.707 1.00 14.16 C ATOM 951 O ASN A 60 -10.611 -4.276 5.718 1.00 14.26 O ATOM 952 CB ASN A 60 -11.724 -6.808 5.739 1.00 19.23 C ATOM 953 CG ASN A 60 -12.243 -8.193 5.377 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.130 -8.391 4.549 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.903 -9.271 6.133 1.00 24.09 N ATOM 0 H ASN A 60 -9.749 -7.521 3.275 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.517 -6.452 3.717 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.153 -6.838 6.667 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.549 -6.113 5.894 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.376 -10.163 5.991 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.175 -9.187 6.842 1.00 24.09 H new ATOM 962 N ILE A 61 -9.806 -4.377 3.636 1.00 11.08 N ATOM 963 CA ILE A 61 -9.644 -2.986 3.347 1.00 11.78 C ATOM 964 C ILE A 61 -10.898 -2.421 2.773 1.00 13.74 C ATOM 965 O ILE A 61 -11.493 -2.861 1.791 1.00 14.60 O ATOM 966 CB ILE A 61 -8.401 -2.742 2.543 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.176 -3.424 3.175 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.105 -1.233 2.527 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.810 -2.865 2.777 1.00 11.42 C ATOM 0 H ILE A 61 -9.405 -4.957 2.899 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.482 -2.432 4.271 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.572 -3.142 1.544 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.270 -3.359 4.259 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.202 -4.482 2.915 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.203 -1.045 1.945 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.944 -0.702 2.077 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.958 -0.880 3.548 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.025 -3.426 3.285 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.680 -2.955 1.699 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.749 -1.815 3.063 1.00 11.42 H new ATOM 981 N GLN A 62 -11.499 -1.555 3.608 1.00 13.97 N ATOM 982 CA GLN A 62 -12.651 -0.819 3.187 1.00 15.52 C ATOM 983 C GLN A 62 -12.253 0.544 2.735 1.00 13.94 C ATOM 984 O GLN A 62 -11.095 0.953 2.792 1.00 12.15 O ATOM 985 CB GLN A 62 -13.723 -0.851 4.289 1.00 19.53 C ATOM 986 CG GLN A 62 -13.464 -0.125 5.610 1.00 26.38 C ATOM 987 CD GLN A 62 -14.682 -0.105 6.523 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.820 -0.090 6.056 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.428 0.177 7.829 1.00 32.71 N ATOM 0 H GLN A 62 -11.193 -1.365 4.562 1.00 13.97 H new ATOM 0 HA GLN A 62 -13.113 -1.286 2.317 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -14.640 -0.442 3.865 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.920 -1.897 4.524 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.636 -0.608 6.128 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.155 0.899 5.401 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.470 0.154 8.179 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.195 0.411 8.459 1.00 32.71 H new ATOM 998 N LYS A 63 -13.213 1.326 2.211 1.00 11.73 N ATOM 999 CA LYS A 63 -13.123 2.650 1.678 1.00 11.97 C ATOM 1000 C LYS A 63 -12.600 3.519 2.769 1.00 10.41 C ATOM 1001 O LYS A 63 -12.923 3.225 3.919 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.491 3.128 1.164 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.589 3.213 2.226 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.946 3.291 1.522 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.162 4.553 0.684 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.111 5.771 1.521 1.00 25.97 N ATOM 0 H LYS A 63 -14.172 0.983 2.156 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.453 2.685 0.819 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.368 4.112 0.711 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.822 2.453 0.375 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.552 2.341 2.879 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.439 4.090 2.856 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -17.055 2.420 0.876 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -17.733 3.231 2.273 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.399 4.611 -0.093 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.127 4.496 0.180 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.998 6.304 1.413 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.988 5.502 2.518 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.312 6.365 1.221 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.747 4.514 2.463 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.131 5.426 3.376 1.00 10.94 C ATOM 1022 C GLU A 64 -10.248 4.837 4.422 1.00 9.74 C ATOM 1023 O GLU A 64 -9.920 5.540 5.376 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.085 6.500 3.926 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.717 7.281 2.772 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.095 6.764 2.385 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.998 6.746 3.264 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.241 6.424 1.181 1.00 32.61 O ATOM 0 H GLU A 64 -11.467 4.693 1.499 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.424 5.942 2.727 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.864 6.032 4.528 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.541 7.180 4.581 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.795 8.332 3.052 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.060 7.231 1.904 1.00 24.16 H new ATOM 1035 N SER A 65 -9.741 3.605 4.240 1.00 6.85 N ATOM 1036 CA SER A 65 -8.686 3.132 5.082 1.00 6.90 C ATOM 1037 C SER A 65 -7.334 3.724 4.879 1.00 4.72 C ATOM 1038 O SER A 65 -6.996 4.046 3.741 1.00 3.91 O ATOM 1039 CB SER A 65 -8.573 1.600 5.153 1.00 7.28 C ATOM 1040 OG SER A 65 -9.884 1.088 5.338 1.00 10.56 O ATOM 0 H SER A 65 -10.053 2.948 3.525 1.00 6.85 H new ATOM 0 HA SER A 65 -9.031 3.512 6.044 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.132 1.204 4.238 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.924 1.300 5.976 1.00 7.28 H new ATOM 0 HG SER A 65 -10.337 1.029 4.471 1.00 10.56 H new ATOM 1046 N THR A 66 -6.490 3.884 5.914 1.00 4.48 N ATOM 1047 CA THR A 66 -5.088 4.159 5.849 1.00 3.80 C ATOM 1048 C THR A 66 -4.335 2.876 5.945 1.00 4.60 C ATOM 1049 O THR A 66 -4.457 2.100 6.891 1.00 5.33 O ATOM 1050 CB THR A 66 -4.563 5.053 6.933 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.322 6.249 7.027 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.130 5.490 6.583 1.00 3.40 C ATOM 0 H THR A 66 -6.818 3.815 6.877 1.00 4.48 H new ATOM 0 HA THR A 66 -4.946 4.679 4.902 1.00 3.80 H new ATOM 0 HB THR A 66 -4.612 4.493 7.867 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.959 6.812 7.742 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.746 6.140 7.369 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.492 4.610 6.495 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.135 6.030 5.636 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.446 2.649 4.962 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.415 1.660 5.025 1.00 3.85 C ATOM 1062 C LEU A 67 -1.176 2.411 5.374 1.00 3.80 C ATOM 1063 O LEU A 67 -0.970 3.586 5.074 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.181 1.060 3.629 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.329 0.184 3.100 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.546 0.950 2.556 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.837 -0.858 2.081 1.00 8.12 C ATOM 0 H LEU A 67 -3.445 3.175 4.088 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.673 0.869 5.730 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.010 1.873 2.924 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.270 0.463 3.654 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.692 -0.332 3.989 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.297 0.240 2.209 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.970 1.569 3.347 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.235 1.585 1.726 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.681 -1.454 1.734 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.379 -0.349 1.233 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.102 -1.510 2.553 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.163 1.829 6.039 1.00 2.94 N ATOM 1080 CA HIS A 68 1.031 2.549 6.356 1.00 4.17 C ATOM 1081 C HIS A 68 2.122 2.085 5.453 1.00 5.32 C ATOM 1082 O HIS A 68 2.360 0.881 5.371 1.00 7.70 O ATOM 1083 CB HIS A 68 1.310 2.151 7.815 1.00 5.57 C ATOM 1084 CG HIS A 68 0.313 2.806 8.724 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.091 2.305 9.990 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.528 3.859 8.542 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.911 3.080 10.484 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.322 4.025 9.659 1.00 16.30 N ATOM 0 H HIS A 68 -0.170 0.860 6.357 1.00 2.94 H new ATOM 0 HA HIS A 68 0.952 3.629 6.234 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.255 1.068 7.922 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.321 2.449 8.095 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.569 4.474 7.655 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.334 2.935 11.467 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.056 4.717 9.811 1.00 16.30 H new ATOM 1096 N LEU A 69 2.815 3.022 4.781 1.00 5.29 N ATOM 1097 CA LEU A 69 3.861 2.542 3.932 1.00 3.97 C ATOM 1098 C LEU A 69 5.154 2.637 4.666 1.00 5.07 C ATOM 1099 O LEU A 69 5.479 3.686 5.220 1.00 4.34 O ATOM 1100 CB LEU A 69 3.990 3.358 2.634 1.00 6.08 C ATOM 1101 CG LEU A 69 4.884 2.833 1.497 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.607 1.373 1.101 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.786 3.673 0.213 1.00 6.87 C ATOM 0 H LEU A 69 2.671 4.031 4.815 1.00 5.29 H new ATOM 0 HA LEU A 69 3.617 1.514 3.664 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.987 3.487 2.228 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.354 4.349 2.905 1.00 6.08 H new ATOM 0 HG LEU A 69 5.883 2.908 1.926 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.279 1.081 0.294 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.771 0.725 1.962 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.574 1.277 0.766 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.440 3.250 -0.549 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.757 3.667 -0.148 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.091 4.698 0.425 1.00 6.87 H new ATOM 1115 N VAL A 70 6.017 1.608 4.717 1.00 4.29 N ATOM 1116 CA VAL A 70 7.338 1.665 5.262 1.00 6.26 C ATOM 1117 C VAL A 70 8.299 1.610 4.125 1.00 9.22 C ATOM 1118 O VAL A 70 8.272 0.701 3.296 1.00 9.36 O ATOM 1119 CB VAL A 70 7.773 0.581 6.204 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.227 0.636 6.703 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.822 0.740 7.402 1.00 8.54 C ATOM 0 H VAL A 70 5.779 0.684 4.357 1.00 4.29 H new ATOM 0 HA VAL A 70 7.325 2.580 5.854 1.00 6.26 H new ATOM 0 HB VAL A 70 7.732 -0.373 5.678 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.413 -0.202 7.375 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.906 0.576 5.852 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.394 1.572 7.235 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.057 -0.012 8.155 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.942 1.734 7.832 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.792 0.610 7.069 1.00 8.54 H new ATOM 1131 N LEU A 71 9.236 2.575 4.139 1.00 12.71 N ATOM 1132 CA LEU A 71 10.292 2.642 3.177 1.00 16.06 C ATOM 1133 C LEU A 71 11.574 2.190 3.786 1.00 18.09 C ATOM 1134 O LEU A 71 11.867 2.550 4.925 1.00 19.26 O ATOM 1135 CB LEU A 71 10.389 4.104 2.710 1.00 17.10 C ATOM 1136 CG LEU A 71 9.181 4.487 1.839 1.00 19.37 C ATOM 1137 CD1 LEU A 71 8.995 6.000 1.635 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.106 3.731 0.501 1.00 17.51 C ATOM 0 H LEU A 71 9.261 3.323 4.832 1.00 12.71 H new ATOM 0 HA LEU A 71 10.090 1.988 2.329 1.00 16.06 H new ATOM 0 HB2 LEU A 71 10.440 4.763 3.576 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.310 4.248 2.145 1.00 17.10 H new ATOM 0 HG LEU A 71 8.334 4.152 2.438 1.00 19.37 H new ATOM 0 HD11 LEU A 71 8.120 6.178 1.009 1.00 19.57 H new ATOM 0 HD12 LEU A 71 8.854 6.483 2.602 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.879 6.413 1.149 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.226 4.059 -0.053 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.002 3.938 -0.085 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.037 2.660 0.692 1.00 17.51 H new ATOM 1150 N ARG A 72 12.381 1.394 3.062 1.00 21.47 N ATOM 1151 CA ARG A 72 13.451 0.604 3.589 1.00 25.83 C ATOM 1152 C ARG A 72 14.796 0.908 3.025 1.00 27.74 C ATOM 1153 O ARG A 72 14.967 1.604 2.026 1.00 30.65 O ATOM 1154 CB ARG A 72 13.133 -0.893 3.435 1.00 28.49 C ATOM 1155 CG ARG A 72 13.022 -1.300 1.964 1.00 31.79 C ATOM 1156 CD ARG A 72 12.817 -2.801 1.745 1.00 34.05 C ATOM 1157 NE ARG A 72 14.044 -3.602 2.014 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.335 -4.860 1.572 1.00 34.67 C ATOM 1159 NH1 ARG A 72 13.509 -5.554 0.736 1.00 35.02 N ATOM 1160 NH2 ARG A 72 15.508 -5.428 1.977 1.00 34.97 N ATOM 0 H ARG A 72 12.281 1.296 2.052 1.00 21.47 H new ATOM 0 HA ARG A 72 13.516 0.874 4.643 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.913 -1.482 3.918 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.198 -1.121 3.947 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.190 -0.761 1.511 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.927 -0.988 1.442 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.013 -3.150 2.392 1.00 34.05 H new ATOM 0 HD3 ARG A 72 12.496 -2.972 0.717 1.00 34.05 H new ATOM 0 HE ARG A 72 14.751 -3.157 2.599 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.636 -5.134 0.418 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.765 -6.493 0.430 1.00 35.02 H new ATOM 0 HH21 ARG A 72 16.138 -4.914 2.593 1.00 34.97 H new ATOM 0 HH22 ARG A 72 15.755 -6.367 1.664 1.00 34.97 H new ATOM 1174 N LEU A 73 15.825 0.256 3.598 1.00 28.93 N ATOM 1175 CA LEU A 73 17.154 0.034 3.119 1.00 30.76 C ATOM 1176 C LEU A 73 17.052 -0.909 1.970 1.00 32.18 C ATOM 1177 O LEU A 73 16.401 -1.944 2.102 1.00 32.31 O ATOM 1178 CB LEU A 73 18.142 -0.582 4.124 1.00 30.53 C ATOM 1179 CG LEU A 73 18.257 0.108 5.493 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.246 -0.732 6.317 1.00 29.11 C ATOM 1181 CD2 LEU A 73 18.632 1.588 5.304 1.00 29.57 C ATOM 0 H LEU A 73 15.703 -0.169 4.517 1.00 28.93 H new ATOM 0 HA LEU A 73 17.553 1.019 2.875 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.855 -1.620 4.290 1.00 30.53 H new ATOM 0 HB3 LEU A 73 19.131 -0.594 3.665 1.00 30.53 H new ATOM 0 HG LEU A 73 17.318 0.146 6.045 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.367 -0.287 7.304 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.862 -1.747 6.421 1.00 29.11 H new ATOM 0 HD13 LEU A 73 20.211 -0.759 5.810 1.00 29.11 H new ATOM 0 HD21 LEU A 73 18.712 2.070 6.278 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.588 1.658 4.785 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.862 2.086 4.714 1.00 29.57 H new ATOM 1193 N ARG A 74 17.671 -0.545 0.832 1.00 33.82 N ATOM 1194 CA ARG A 74 17.313 -1.177 -0.399 1.00 35.33 C ATOM 1195 C ARG A 74 18.023 -2.486 -0.450 1.00 36.22 C ATOM 1196 O ARG A 74 19.002 -2.683 0.268 1.00 36.70 O ATOM 1197 CB ARG A 74 17.730 -0.295 -1.588 1.00 36.91 C ATOM 1198 CG ARG A 74 17.109 1.102 -1.649 1.00 38.62 C ATOM 1199 CD ARG A 74 17.585 1.693 -2.978 1.00 39.75 C ATOM 1200 NE ARG A 74 16.998 3.062 -3.026 1.00 41.13 N ATOM 1201 CZ ARG A 74 17.240 3.854 -4.111 1.00 41.91 C ATOM 1202 NH1 ARG A 74 17.712 3.374 -5.299 1.00 42.75 N ATOM 1203 NH2 ARG A 74 17.213 5.209 -3.950 1.00 41.93 N ATOM 0 H ARG A 74 18.399 0.166 0.763 1.00 33.82 H new ATOM 0 HA ARG A 74 16.235 -1.325 -0.457 1.00 35.33 H new ATOM 0 HB2 ARG A 74 18.814 -0.186 -1.569 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.478 -0.821 -2.509 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.021 1.052 -1.607 1.00 38.62 H new ATOM 0 HG3 ARG A 74 17.432 1.714 -0.807 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.673 1.729 -3.026 1.00 39.75 H new ATOM 0 HD3 ARG A 74 17.248 1.090 -3.821 1.00 39.75 H new ATOM 0 HE ARG A 74 16.422 3.403 -2.257 1.00 41.13 H new ATOM 0 HH11 ARG A 74 17.901 2.378 -5.407 1.00 42.75 H new ATOM 0 HH12 ARG A 74 17.875 4.012 -6.078 1.00 42.75 H new ATOM 0 HH21 ARG A 74 17.015 5.610 -3.033 1.00 41.93 H new ATOM 0 HH22 ARG A 74 17.391 5.821 -4.746 1.00 41.93 H new ATOM 1217 N GLY A 75 17.543 -3.373 -1.340 1.00 36.31 N ATOM 1218 CA GLY A 75 18.118 -4.604 -1.787 1.00 36.07 C ATOM 1219 C GLY A 75 17.874 -5.776 -0.899 1.00 36.16 C ATOM 1220 O GLY A 75 18.333 -5.837 0.241 1.00 36.26 O ATOM 0 H GLY A 75 16.647 -3.204 -1.797 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.726 -4.831 -2.778 1.00 36.07 H new ATOM 0 HA3 GLY A 75 19.194 -4.467 -1.894 1.00 36.07 H new ATOM 1224 N GLY A 76 17.205 -6.807 -1.444 1.00 36.05 N ATOM 1225 CA GLY A 76 17.041 -8.102 -0.860 1.00 36.19 C ATOM 1226 C GLY A 76 15.742 -8.061 -0.068 1.00 36.20 C ATOM 1227 O GLY A 76 14.639 -7.782 -0.610 1.00 36.13 O ATOM 1228 OXT GLY A 76 15.870 -8.198 1.177 1.00 36.27 O ATOM 0 H GLY A 76 16.749 -6.730 -2.353 1.00 36.05 H new ATOM 0 HA2 GLY A 76 17.001 -8.872 -1.630 1.00 36.19 H new ATOM 0 HA3 GLY A 76 17.883 -8.344 -0.211 1.00 36.19 H new TER 1232 GLY A 76