USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 7 THR OG1 : rot 180:sc= -0.0853 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -179:sc= -0.0929 (180deg=-0.316) USER MOD Set 2.2: A 12 THR OG1 : rot 53:sc= 0.2 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.0122 (180deg=-0.0278) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.61 (180deg=1.57) USER MOD Single : A 2 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.058) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.932 (180deg=-0.288!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.591 K(o=0.59,f=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 41 GLN : amide:sc= 1.25 K(o=1.2,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.04 K(o=1,f=-8.4!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc=0.000141 USER MOD Single : A 60 ASN : amide:sc= -0.0274 K(o=-0.027,f=-0.64) USER MOD Single : A 62 GLN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 0.28 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.792 -7.532 -4.902 1.00 9.67 N ATOM 2 CA MET A 1 11.567 -8.031 -3.479 1.00 10.38 C ATOM 3 C MET A 1 10.130 -8.202 -3.090 1.00 9.62 C ATOM 4 O MET A 1 9.234 -7.828 -3.813 1.00 9.62 O ATOM 5 CB MET A 1 12.244 -6.997 -2.519 1.00 13.77 C ATOM 6 CG MET A 1 11.449 -5.747 -2.250 1.00 16.29 C ATOM 7 SD MET A 1 12.447 -4.437 -1.530 1.00 17.17 S ATOM 8 CE MET A 1 11.080 -3.284 -1.419 1.00 16.11 C ATOM 0 H1 MET A 1 12.813 -7.476 -5.093 1.00 9.67 H new ATOM 0 H2 MET A 1 11.349 -8.190 -5.575 1.00 9.67 H new ATOM 0 H3 MET A 1 11.368 -6.589 -5.010 1.00 9.67 H new ATOM 0 HA MET A 1 12.000 -9.029 -3.410 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.447 -7.489 -1.568 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.207 -6.711 -2.942 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.009 -5.393 -3.182 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.625 -5.983 -1.577 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.437 -2.334 -1.022 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.656 -3.126 -2.411 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.315 -3.690 -0.757 1.00 16.11 H new ATOM 20 N GLN A 2 9.856 -8.801 -1.949 1.00 9.27 N ATOM 21 CA GLN A 2 8.546 -9.104 -1.540 1.00 9.07 C ATOM 22 C GLN A 2 8.134 -8.271 -0.295 1.00 8.72 C ATOM 23 O GLN A 2 8.900 -8.171 0.681 1.00 8.22 O ATOM 24 CB GLN A 2 8.477 -10.596 -1.123 1.00 14.46 C ATOM 25 CG GLN A 2 7.034 -11.022 -0.735 1.00 17.01 C ATOM 26 CD GLN A 2 6.881 -12.569 -0.732 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.752 -13.128 0.344 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.794 -13.186 -1.961 1.00 19.49 N ATOM 0 H GLN A 2 10.572 -9.088 -1.281 1.00 9.27 H new ATOM 0 HA GLN A 2 7.880 -8.879 -2.373 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.831 -11.219 -1.944 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.146 -10.769 -0.280 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.790 -10.629 0.252 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.323 -10.586 -1.437 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.915 -12.641 -2.815 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.608 -14.187 -2.017 1.00 19.49 H new ATOM 37 N ILE A 3 6.946 -7.585 -0.373 1.00 5.87 N ATOM 38 CA ILE A 3 6.402 -6.919 0.788 1.00 5.07 C ATOM 39 C ILE A 3 5.071 -7.486 1.204 1.00 4.01 C ATOM 40 O ILE A 3 4.407 -8.132 0.457 1.00 4.61 O ATOM 41 CB ILE A 3 6.283 -5.427 0.678 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.267 -4.889 -0.433 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.692 -4.937 0.474 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.926 -3.422 -0.428 1.00 10.83 C ATOM 0 H ILE A 3 6.384 -7.499 -1.220 1.00 5.87 H new ATOM 0 HA ILE A 3 7.151 -7.119 1.554 1.00 5.07 H new ATOM 0 HB ILE A 3 5.828 -5.029 1.585 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.682 -5.132 -1.411 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.337 -5.448 -0.334 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.690 -3.851 0.384 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.306 -5.229 1.326 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.102 -5.376 -0.436 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.228 -3.208 -1.237 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.468 -3.158 0.525 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.835 -2.837 -0.569 1.00 10.83 H new ATOM 56 N PHE A 4 4.680 -7.228 2.504 1.00 4.55 N ATOM 57 CA PHE A 4 3.423 -7.719 3.013 1.00 4.68 C ATOM 58 C PHE A 4 2.471 -6.579 3.364 1.00 5.30 C ATOM 59 O PHE A 4 2.884 -5.582 3.907 1.00 5.58 O ATOM 60 CB PHE A 4 3.540 -8.586 4.278 1.00 4.83 C ATOM 61 CG PHE A 4 4.623 -9.612 4.156 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.338 -10.509 3.125 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.694 -9.780 5.047 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.261 -11.619 2.960 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.614 -10.818 4.818 1.00 10.61 C ATOM 66 CZ PHE A 4 6.383 -11.730 3.744 1.00 8.90 C ATOM 0 H PHE A 4 5.231 -6.691 3.174 1.00 4.55 H new ATOM 0 HA PHE A 4 3.044 -8.332 2.195 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.741 -7.947 5.138 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.589 -9.084 4.466 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.478 -10.385 2.484 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.810 -9.122 5.896 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.061 -12.369 2.209 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.485 -10.924 5.447 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.098 -12.515 3.546 1.00 8.90 H new ATOM 76 N VAL A 5 1.172 -6.725 3.020 1.00 4.44 N ATOM 77 CA VAL A 5 0.229 -5.710 3.330 1.00 3.87 C ATOM 78 C VAL A 5 -0.834 -6.359 4.227 1.00 4.93 C ATOM 79 O VAL A 5 -1.472 -7.333 3.862 1.00 6.84 O ATOM 80 CB VAL A 5 -0.597 -5.352 2.089 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.783 -4.409 2.426 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.298 -4.651 1.100 1.00 9.13 C ATOM 0 H VAL A 5 0.789 -7.536 2.535 1.00 4.44 H new ATOM 0 HA VAL A 5 0.764 -4.857 3.748 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.003 -6.277 1.681 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.339 -4.183 1.516 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.444 -4.897 3.143 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.401 -3.483 2.857 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.276 -4.390 0.211 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.700 -3.744 1.552 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.119 -5.311 0.821 1.00 9.13 H new ATOM 92 N LYS A 6 -1.062 -5.831 5.478 1.00 6.04 N ATOM 93 CA LYS A 6 -1.985 -6.337 6.440 1.00 6.12 C ATOM 94 C LYS A 6 -3.194 -5.451 6.612 1.00 6.57 C ATOM 95 O LYS A 6 -3.050 -4.262 6.814 1.00 5.76 O ATOM 96 CB LYS A 6 -1.223 -6.653 7.794 1.00 7.45 C ATOM 97 CG LYS A 6 -2.034 -7.631 8.585 1.00 11.12 C ATOM 98 CD LYS A 6 -1.385 -7.899 9.935 1.00 14.54 C ATOM 99 CE LYS A 6 -1.820 -9.225 10.546 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.314 -10.364 9.782 1.00 20.55 N ATOM 0 H LYS A 6 -0.563 -5.007 5.813 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.398 -7.275 6.069 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.235 -7.064 7.585 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.073 -5.737 8.366 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.042 -7.242 8.731 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.130 -8.564 8.030 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.301 -7.896 9.819 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.635 -7.089 10.620 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.461 -9.288 11.573 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.908 -9.268 10.585 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.644 -11.249 10.218 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.663 -10.309 8.804 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.274 -10.346 9.780 1.00 20.55 H new ATOM 114 N THR A 7 -4.443 -6.022 6.441 1.00 7.41 N ATOM 115 CA THR A 7 -5.644 -5.197 6.438 1.00 7.48 C ATOM 116 C THR A 7 -6.162 -4.984 7.820 1.00 8.75 C ATOM 117 O THR A 7 -5.740 -5.698 8.777 1.00 8.58 O ATOM 118 CB THR A 7 -6.741 -5.690 5.491 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.341 -6.942 5.883 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.131 -5.968 4.119 1.00 9.17 C ATOM 0 H THR A 7 -4.608 -7.020 6.310 1.00 7.41 H new ATOM 0 HA THR A 7 -5.334 -4.232 6.037 1.00 7.48 H new ATOM 0 HB THR A 7 -7.497 -4.904 5.500 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.031 -7.191 5.234 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.908 -6.320 3.440 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.691 -5.052 3.724 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.358 -6.731 4.212 1.00 9.17 H new ATOM 128 N LEU A 8 -7.130 -4.017 8.047 1.00 9.84 N ATOM 129 CA LEU A 8 -7.641 -3.815 9.442 1.00 14.15 C ATOM 130 C LEU A 8 -8.380 -5.096 9.999 1.00 17.37 C ATOM 131 O LEU A 8 -8.513 -5.176 11.214 1.00 17.01 O ATOM 132 CB LEU A 8 -8.601 -2.591 9.457 1.00 16.63 C ATOM 133 CG LEU A 8 -8.683 -1.961 10.889 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.296 -1.278 11.209 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.799 -0.894 10.867 1.00 18.59 C ATOM 0 H LEU A 8 -7.539 -3.413 7.334 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.787 -3.633 10.094 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.253 -1.842 8.746 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.595 -2.900 9.134 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.900 -2.714 11.646 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.331 -0.832 12.203 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.505 -2.027 11.175 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.093 -0.502 10.470 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.883 -0.435 11.852 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.557 -0.129 10.129 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.747 -1.364 10.604 1.00 18.59 H new ATOM 147 N THR A 9 -8.892 -5.996 9.138 1.00 18.33 N ATOM 148 CA THR A 9 -9.563 -7.170 9.618 1.00 19.24 C ATOM 149 C THR A 9 -8.569 -8.341 9.751 1.00 19.48 C ATOM 150 O THR A 9 -8.914 -9.473 10.097 1.00 23.14 O ATOM 151 CB THR A 9 -10.640 -7.719 8.741 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.227 -7.894 7.398 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.782 -6.683 8.666 1.00 19.70 C ATOM 0 H THR A 9 -8.844 -5.915 8.122 1.00 18.33 H new ATOM 0 HA THR A 9 -10.001 -6.824 10.554 1.00 19.24 H new ATOM 0 HB THR A 9 -10.926 -8.679 9.171 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.970 -8.256 6.872 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.579 -7.066 8.029 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.173 -6.500 9.667 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.401 -5.751 8.249 1.00 19.70 H new ATOM 161 N GLY A 10 -7.273 -8.077 9.305 1.00 19.43 N ATOM 162 CA GLY A 10 -6.126 -8.930 9.681 1.00 18.74 C ATOM 163 C GLY A 10 -5.680 -9.729 8.475 1.00 17.62 C ATOM 164 O GLY A 10 -4.714 -10.505 8.581 1.00 19.74 O ATOM 0 H GLY A 10 -7.031 -7.292 8.700 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.305 -8.314 10.047 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.408 -9.601 10.492 1.00 18.74 H new ATOM 168 N LYS A 11 -6.324 -9.590 7.320 1.00 13.56 N ATOM 169 CA LYS A 11 -5.893 -10.268 6.120 1.00 11.91 C ATOM 170 C LYS A 11 -4.516 -9.899 5.673 1.00 10.18 C ATOM 171 O LYS A 11 -4.253 -8.687 5.670 1.00 9.10 O ATOM 172 CB LYS A 11 -6.968 -10.157 5.052 1.00 13.43 C ATOM 173 CG LYS A 11 -6.710 -11.015 3.851 1.00 16.69 C ATOM 174 CD LYS A 11 -7.698 -10.729 2.732 1.00 17.92 C ATOM 175 CE LYS A 11 -7.573 -11.758 1.628 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.529 -11.499 0.567 1.00 21.93 N ATOM 0 H LYS A 11 -7.152 -9.007 7.198 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.780 -11.328 6.350 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.929 -10.433 5.486 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.048 -9.117 4.735 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.695 -10.843 3.493 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.775 -12.066 4.134 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.714 -10.735 3.127 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.519 -9.732 2.328 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.561 -11.741 1.223 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.737 -12.756 2.035 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.154 -11.860 -0.334 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.427 -11.977 0.784 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.692 -10.475 0.489 1.00 21.93 H new ATOM 190 N THR A 12 -3.698 -10.787 5.120 1.00 9.63 N ATOM 191 CA THR A 12 -2.352 -10.486 4.668 1.00 9.85 C ATOM 192 C THR A 12 -2.141 -10.713 3.232 1.00 11.66 C ATOM 193 O THR A 12 -2.293 -11.824 2.720 1.00 12.33 O ATOM 194 CB THR A 12 -1.190 -11.192 5.395 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.250 -10.991 6.812 1.00 10.91 O ATOM 196 CG2 THR A 12 0.205 -10.600 5.043 1.00 9.63 C ATOM 0 H THR A 12 -3.963 -11.761 4.971 1.00 9.63 H new ATOM 0 HA THR A 12 -2.313 -9.426 4.920 1.00 9.85 H new ATOM 0 HB THR A 12 -1.297 -12.232 5.085 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.137 -11.246 7.141 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.978 -11.142 5.588 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.381 -10.696 3.972 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.234 -9.547 5.322 1.00 9.63 H new ATOM 204 N ILE A 13 -1.835 -9.669 2.502 1.00 10.42 N ATOM 205 CA ILE A 13 -1.686 -9.659 1.070 1.00 11.84 C ATOM 206 C ILE A 13 -0.218 -9.609 0.809 1.00 10.55 C ATOM 207 O ILE A 13 0.533 -8.920 1.492 1.00 11.92 O ATOM 208 CB ILE A 13 -2.315 -8.458 0.325 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.650 -8.045 0.998 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.421 -8.710 -1.194 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.131 -6.685 0.562 1.00 16.46 C ATOM 0 H ILE A 13 -1.674 -8.751 2.917 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.207 -10.541 0.698 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.649 -7.600 0.413 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.414 -8.787 0.764 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.522 -8.050 2.080 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.868 -7.841 -1.677 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.426 -8.881 -1.605 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.044 -9.586 -1.375 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.069 -6.452 1.066 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.384 -5.935 0.820 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.289 -6.683 -0.516 1.00 16.46 H new ATOM 223 N THR A 14 0.333 -10.402 -0.124 1.00 9.39 N ATOM 224 CA THR A 14 1.750 -10.474 -0.346 1.00 9.63 C ATOM 225 C THR A 14 2.059 -9.986 -1.761 1.00 11.20 C ATOM 226 O THR A 14 1.404 -10.403 -2.696 1.00 11.63 O ATOM 227 CB THR A 14 2.136 -11.946 -0.303 1.00 10.38 C ATOM 228 OG1 THR A 14 1.784 -12.605 0.861 1.00 16.30 O ATOM 229 CG2 THR A 14 3.643 -12.162 -0.522 1.00 11.66 C ATOM 0 H THR A 14 -0.212 -11.007 -0.739 1.00 9.39 H new ATOM 0 HA THR A 14 2.280 -9.877 0.396 1.00 9.63 H new ATOM 0 HB THR A 14 1.559 -12.374 -1.123 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.066 -13.542 0.805 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.867 -13.228 -0.482 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.929 -11.767 -1.497 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.202 -11.644 0.258 1.00 11.66 H new ATOM 237 N LEU A 15 3.013 -9.065 -1.934 1.00 8.29 N ATOM 238 CA LEU A 15 3.151 -8.467 -3.254 1.00 9.03 C ATOM 239 C LEU A 15 4.623 -8.607 -3.779 1.00 8.59 C ATOM 240 O LEU A 15 5.531 -8.675 -2.954 1.00 7.79 O ATOM 241 CB LEU A 15 2.781 -7.004 -3.275 1.00 11.08 C ATOM 242 CG LEU A 15 1.465 -6.560 -2.743 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.364 -5.016 -2.551 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.325 -7.055 -3.623 1.00 15.27 C ATOM 0 H LEU A 15 3.663 -8.736 -1.220 1.00 8.29 H new ATOM 0 HA LEU A 15 2.460 -9.009 -3.899 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.552 -6.467 -2.722 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.841 -6.670 -4.311 1.00 11.08 H new ATOM 0 HG LEU A 15 1.378 -7.007 -1.753 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.379 -4.762 -2.161 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.129 -4.686 -1.848 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.514 -4.520 -3.510 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.626 -6.716 -3.211 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.445 -6.659 -4.631 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.338 -8.144 -3.657 1.00 15.27 H new ATOM 256 N GLU A 16 4.924 -8.475 -5.066 1.00 11.04 N ATOM 257 CA GLU A 16 6.253 -8.292 -5.650 1.00 11.50 C ATOM 258 C GLU A 16 6.496 -6.836 -6.108 1.00 10.13 C ATOM 259 O GLU A 16 5.804 -6.312 -6.953 1.00 9.83 O ATOM 260 CB GLU A 16 6.432 -9.302 -6.796 1.00 17.22 C ATOM 261 CG GLU A 16 7.854 -9.257 -7.488 1.00 23.33 C ATOM 262 CD GLU A 16 9.111 -9.382 -6.584 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.220 -10.384 -5.841 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.092 -8.622 -6.761 1.00 28.90 O ATOM 0 H GLU A 16 4.197 -8.494 -5.781 1.00 11.04 H new ATOM 0 HA GLU A 16 7.007 -8.483 -4.887 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.261 -10.307 -6.409 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.668 -9.117 -7.551 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.892 -10.059 -8.225 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.929 -8.317 -8.036 1.00 23.33 H new ATOM 271 N VAL A 17 7.504 -6.149 -5.512 1.00 8.99 N ATOM 272 CA VAL A 17 7.665 -4.707 -5.635 1.00 8.85 C ATOM 273 C VAL A 17 9.134 -4.345 -5.909 1.00 8.04 C ATOM 274 O VAL A 17 10.052 -5.198 -5.776 1.00 8.99 O ATOM 275 CB VAL A 17 7.203 -3.950 -4.386 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.717 -3.878 -4.215 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.791 -4.513 -3.110 1.00 10.54 C ATOM 0 H VAL A 17 8.219 -6.594 -4.937 1.00 8.99 H new ATOM 0 HA VAL A 17 7.035 -4.405 -6.472 1.00 8.85 H new ATOM 0 HB VAL A 17 7.576 -2.941 -4.561 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.482 -3.325 -3.306 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.276 -3.370 -5.073 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.310 -4.886 -4.142 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.429 -3.938 -2.258 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.489 -5.555 -2.999 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.878 -4.453 -3.153 1.00 10.54 H new ATOM 287 N GLU A 18 9.501 -3.122 -6.250 1.00 7.29 N ATOM 288 CA GLU A 18 10.901 -2.657 -6.372 1.00 7.08 C ATOM 289 C GLU A 18 11.105 -1.451 -5.477 1.00 6.45 C ATOM 290 O GLU A 18 10.109 -0.786 -5.207 1.00 5.28 O ATOM 291 CB GLU A 18 11.204 -2.193 -7.821 1.00 10.28 C ATOM 292 CG GLU A 18 11.441 -3.404 -8.808 1.00 12.65 C ATOM 293 CD GLU A 18 12.572 -4.335 -8.346 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.745 -3.936 -8.501 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.367 -5.497 -7.922 1.00 18.17 O ATOM 0 H GLU A 18 8.822 -2.390 -6.460 1.00 7.29 H new ATOM 0 HA GLU A 18 11.554 -3.485 -6.095 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.374 -1.588 -8.186 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.087 -1.554 -7.817 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.519 -3.978 -8.900 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.676 -3.018 -9.800 1.00 12.65 H new ATOM 302 N PRO A 19 12.239 -1.055 -4.984 1.00 7.24 N ATOM 303 CA PRO A 19 12.345 0.138 -4.131 1.00 7.07 C ATOM 304 C PRO A 19 12.118 1.459 -4.859 1.00 6.65 C ATOM 305 O PRO A 19 11.731 2.413 -4.145 1.00 6.37 O ATOM 306 CB PRO A 19 13.876 0.108 -3.739 1.00 7.61 C ATOM 307 CG PRO A 19 14.194 -1.386 -3.636 1.00 8.16 C ATOM 308 CD PRO A 19 13.388 -1.994 -4.769 1.00 7.49 C ATOM 0 HA PRO A 19 11.606 0.103 -3.331 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.492 0.598 -4.493 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.058 0.622 -2.795 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.260 -1.579 -3.752 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.900 -1.794 -2.669 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.990 -2.092 -5.672 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.037 -2.993 -4.510 1.00 7.49 H new ATOM 316 N SER A 20 12.285 1.483 -6.211 1.00 6.80 N ATOM 317 CA SER A 20 12.442 2.751 -6.966 1.00 6.28 C ATOM 318 C SER A 20 11.146 2.934 -7.874 1.00 8.45 C ATOM 319 O SER A 20 11.189 3.581 -8.907 1.00 7.26 O ATOM 320 CB SER A 20 13.709 2.663 -7.937 1.00 8.57 C ATOM 321 OG SER A 20 13.632 1.551 -8.821 1.00 11.13 O ATOM 0 H SER A 20 12.314 0.645 -6.792 1.00 6.80 H new ATOM 0 HA SER A 20 12.574 3.579 -6.269 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.784 3.582 -8.518 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.618 2.588 -7.340 1.00 8.57 H new ATOM 0 HG SER A 20 14.424 1.536 -9.397 1.00 11.13 H new ATOM 327 N ASP A 21 10.053 2.314 -7.466 1.00 7.50 N ATOM 328 CA ASP A 21 8.801 2.377 -8.102 1.00 7.70 C ATOM 329 C ASP A 21 7.951 3.155 -7.037 1.00 7.08 C ATOM 330 O ASP A 21 8.227 3.254 -5.846 1.00 8.11 O ATOM 331 CB ASP A 21 8.385 0.970 -8.521 1.00 11.00 C ATOM 332 CG ASP A 21 6.949 0.967 -9.031 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.579 1.975 -9.686 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.247 -0.058 -8.951 1.00 14.36 O ATOM 0 H ASP A 21 10.042 1.726 -6.632 1.00 7.50 H new ATOM 0 HA ASP A 21 8.716 2.901 -9.054 1.00 7.70 H new ATOM 0 HB2 ASP A 21 9.054 0.603 -9.299 1.00 11.00 H new ATOM 0 HB3 ASP A 21 8.478 0.290 -7.674 1.00 11.00 H new ATOM 339 N THR A 22 6.757 3.661 -7.413 1.00 5.37 N ATOM 340 CA THR A 22 5.928 4.485 -6.549 1.00 6.01 C ATOM 341 C THR A 22 4.853 3.806 -5.721 1.00 8.01 C ATOM 342 O THR A 22 4.371 2.699 -5.950 1.00 8.11 O ATOM 343 CB THR A 22 5.315 5.693 -7.171 1.00 8.92 C ATOM 344 OG1 THR A 22 4.787 5.353 -8.423 1.00 10.22 O ATOM 345 CG2 THR A 22 6.474 6.644 -7.495 1.00 9.65 C ATOM 0 H THR A 22 6.351 3.500 -8.335 1.00 5.37 H new ATOM 0 HA THR A 22 6.728 4.782 -5.871 1.00 6.01 H new ATOM 0 HB THR A 22 4.555 6.110 -6.510 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.382 6.145 -8.833 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.082 7.551 -7.955 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.001 6.901 -6.576 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.163 6.156 -8.184 1.00 9.65 H new ATOM 353 N ILE A 23 4.324 4.531 -4.734 1.00 8.32 N ATOM 354 CA ILE A 23 3.219 4.135 -3.833 1.00 9.92 C ATOM 355 C ILE A 23 1.879 3.983 -4.660 1.00 10.01 C ATOM 356 O ILE A 23 1.120 3.077 -4.475 1.00 8.71 O ATOM 357 CB ILE A 23 2.992 5.214 -2.730 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.192 5.261 -1.735 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.637 5.067 -2.020 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.606 3.882 -1.203 1.00 12.30 C ATOM 0 H ILE A 23 4.670 5.467 -4.522 1.00 8.32 H new ATOM 0 HA ILE A 23 3.489 3.187 -3.367 1.00 9.92 H new ATOM 0 HB ILE A 23 2.950 6.181 -3.231 1.00 10.78 H new ATOM 0 HG12 ILE A 23 5.047 5.721 -2.231 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.930 5.902 -0.893 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.536 5.845 -1.264 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.832 5.163 -2.749 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.580 4.088 -1.543 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.446 3.994 -0.517 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.766 3.428 -0.677 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.900 3.244 -2.036 1.00 12.30 H new ATOM 372 N GLU A 24 1.692 4.878 -5.626 1.00 9.54 N ATOM 373 CA GLU A 24 0.544 4.762 -6.535 1.00 11.81 C ATOM 374 C GLU A 24 0.464 3.464 -7.411 1.00 11.14 C ATOM 375 O GLU A 24 -0.614 2.835 -7.524 1.00 10.62 O ATOM 376 CB GLU A 24 0.703 5.937 -7.530 1.00 19.24 C ATOM 377 CG GLU A 24 -0.370 5.954 -8.617 1.00 27.76 C ATOM 378 CD GLU A 24 -0.332 7.247 -9.459 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.671 8.366 -8.974 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.034 7.094 -10.631 1.00 36.51 O ATOM 0 H GLU A 24 2.302 5.676 -5.802 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.349 4.751 -5.910 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.669 6.877 -6.980 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.685 5.877 -7.999 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.234 5.093 -9.272 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.352 5.852 -8.156 1.00 27.76 H new ATOM 387 N ASN A 25 1.613 2.934 -7.940 1.00 9.43 N ATOM 388 CA ASN A 25 1.769 1.633 -8.632 1.00 10.96 C ATOM 389 C ASN A 25 1.496 0.442 -7.677 1.00 9.68 C ATOM 390 O ASN A 25 1.029 -0.574 -8.078 1.00 9.33 O ATOM 391 CB ASN A 25 3.078 1.347 -9.436 1.00 16.78 C ATOM 392 CG ASN A 25 3.147 2.316 -10.613 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.225 3.079 -10.998 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.374 2.366 -11.171 1.00 24.70 N ATOM 0 H ASN A 25 2.497 3.440 -7.886 1.00 9.43 H new ATOM 0 HA ASN A 25 1.010 1.733 -9.408 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.951 1.468 -8.794 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.086 0.317 -9.793 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.567 3.031 -11.919 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.109 1.738 -10.844 1.00 24.70 H new ATOM 401 N VAL A 26 1.768 0.556 -6.322 1.00 6.52 N ATOM 402 CA VAL A 26 1.343 -0.411 -5.333 1.00 5.53 C ATOM 403 C VAL A 26 -0.159 -0.645 -5.306 1.00 4.42 C ATOM 404 O VAL A 26 -0.625 -1.764 -5.133 1.00 3.40 O ATOM 405 CB VAL A 26 1.875 -0.084 -3.963 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.363 -1.063 -2.875 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.420 -0.067 -4.104 1.00 8.12 C ATOM 0 H VAL A 26 2.291 1.337 -5.926 1.00 6.52 H new ATOM 0 HA VAL A 26 1.784 -1.357 -5.649 1.00 5.53 H new ATOM 0 HB VAL A 26 1.514 0.885 -3.617 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.778 -0.781 -1.907 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.275 -1.020 -2.830 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.676 -2.077 -3.122 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.871 0.166 -3.139 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.766 -1.045 -4.440 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.711 0.690 -4.832 1.00 8.12 H new ATOM 417 N LYS A 27 -0.886 0.433 -5.422 1.00 2.64 N ATOM 418 CA LYS A 27 -2.329 0.418 -5.249 1.00 4.14 C ATOM 419 C LYS A 27 -3.003 -0.384 -6.342 1.00 5.58 C ATOM 420 O LYS A 27 -3.950 -1.115 -6.046 1.00 4.11 O ATOM 421 CB LYS A 27 -2.867 1.871 -5.273 1.00 3.97 C ATOM 422 CG LYS A 27 -2.339 2.752 -4.142 1.00 7.45 C ATOM 423 CD LYS A 27 -3.039 4.109 -3.917 1.00 9.02 C ATOM 424 CE LYS A 27 -2.518 4.882 -2.763 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.210 6.105 -2.562 1.00 15.47 N ATOM 0 H LYS A 27 -0.502 1.353 -5.639 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.553 -0.050 -4.291 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.605 2.328 -6.227 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.955 1.845 -5.220 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.400 2.183 -3.214 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.283 2.944 -4.329 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.935 4.712 -4.819 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.105 3.935 -3.771 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.594 4.275 -1.861 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.460 5.090 -2.919 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.923 6.521 -1.653 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.980 6.765 -3.332 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.235 5.927 -2.554 1.00 15.47 H new ATOM 439 N ALA A 28 -2.477 -0.333 -7.568 1.00 6.61 N ATOM 440 CA ALA A 28 -2.775 -1.153 -8.686 1.00 7.74 C ATOM 441 C ALA A 28 -2.566 -2.626 -8.426 1.00 9.17 C ATOM 442 O ALA A 28 -3.427 -3.401 -8.854 1.00 11.45 O ATOM 443 CB ALA A 28 -1.922 -0.746 -9.936 1.00 7.68 C ATOM 0 H ALA A 28 -1.765 0.360 -7.798 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.835 -0.990 -8.879 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.175 -1.394 -10.775 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.135 0.290 -10.200 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.862 -0.851 -9.703 1.00 7.68 H new ATOM 449 N LYS A 29 -1.451 -3.001 -7.804 1.00 8.96 N ATOM 450 CA LYS A 29 -1.103 -4.377 -7.409 1.00 7.90 C ATOM 451 C LYS A 29 -2.130 -4.959 -6.475 1.00 6.92 C ATOM 452 O LYS A 29 -2.515 -6.128 -6.696 1.00 6.87 O ATOM 453 CB LYS A 29 0.327 -4.345 -6.660 1.00 10.28 C ATOM 454 CG LYS A 29 1.420 -3.967 -7.699 1.00 14.94 C ATOM 455 CD LYS A 29 2.792 -3.868 -7.014 1.00 19.69 C ATOM 456 CE LYS A 29 3.847 -3.369 -7.953 1.00 22.63 C ATOM 457 NZ LYS A 29 4.026 -4.093 -9.241 1.00 24.98 N ATOM 0 H LYS A 29 -0.728 -2.329 -7.547 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.067 -4.999 -8.304 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.312 -3.621 -5.846 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.545 -5.317 -6.218 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.454 -4.715 -8.491 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.171 -3.016 -8.170 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.723 -3.199 -6.156 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.079 -4.848 -6.632 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.626 -2.327 -8.182 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.800 -3.384 -7.425 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.786 -3.642 -9.790 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.278 -5.084 -9.050 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.140 -4.059 -9.784 1.00 24.98 H new ATOM 471 N ILE A 30 -2.598 -4.176 -5.450 1.00 4.57 N ATOM 472 CA ILE A 30 -3.660 -4.526 -4.493 1.00 5.58 C ATOM 473 C ILE A 30 -4.945 -4.753 -5.246 1.00 7.26 C ATOM 474 O ILE A 30 -5.693 -5.667 -4.903 1.00 9.46 O ATOM 475 CB ILE A 30 -3.782 -3.523 -3.270 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.439 -3.469 -2.548 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.016 -3.917 -2.514 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.318 -2.288 -1.537 1.00 2.00 C ATOM 0 H ILE A 30 -2.217 -3.246 -5.276 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.390 -5.460 -4.001 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.946 -2.475 -3.522 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.284 -4.408 -2.016 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.642 -3.386 -3.287 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.146 -3.254 -1.658 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.884 -3.839 -3.168 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.916 -4.945 -2.165 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.337 -2.314 -1.062 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.440 -1.343 -2.066 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.092 -2.380 -0.775 1.00 2.00 H new ATOM 490 N GLN A 31 -5.265 -3.937 -6.280 1.00 7.06 N ATOM 491 CA GLN A 31 -6.503 -4.057 -7.034 1.00 8.67 C ATOM 492 C GLN A 31 -6.539 -5.443 -7.732 1.00 10.90 C ATOM 493 O GLN A 31 -7.522 -6.226 -7.691 1.00 9.63 O ATOM 494 CB GLN A 31 -6.647 -2.892 -8.095 1.00 9.12 C ATOM 495 CG GLN A 31 -8.032 -2.795 -8.818 1.00 10.76 C ATOM 496 CD GLN A 31 -8.155 -1.609 -9.761 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.084 -0.819 -9.789 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.137 -1.464 -10.671 1.00 14.76 N ATOM 0 H GLN A 31 -4.660 -3.181 -6.602 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.345 -3.972 -6.347 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.453 -1.944 -7.594 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.872 -3.017 -8.851 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.202 -3.713 -9.381 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.819 -2.732 -8.067 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.351 -2.114 -10.665 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.167 -0.706 -11.353 1.00 14.76 H new ATOM 507 N ASP A 32 -5.437 -5.871 -8.331 1.00 10.93 N ATOM 508 CA ASP A 32 -5.305 -7.042 -9.113 1.00 14.01 C ATOM 509 C ASP A 32 -5.614 -8.325 -8.257 1.00 14.04 C ATOM 510 O ASP A 32 -6.351 -9.168 -8.718 1.00 13.39 O ATOM 511 CB ASP A 32 -3.928 -7.117 -9.807 1.00 18.01 C ATOM 512 CG ASP A 32 -3.741 -8.422 -10.543 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.643 -8.752 -11.336 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.696 -9.123 -10.370 1.00 25.17 O ATOM 0 H ASP A 32 -4.560 -5.354 -8.264 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.047 -6.997 -9.911 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.828 -6.287 -10.507 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.139 -7.003 -9.063 1.00 18.01 H new ATOM 519 N LYS A 33 -5.068 -8.327 -7.040 1.00 14.22 N ATOM 520 CA LYS A 33 -5.388 -9.226 -6.010 1.00 14.00 C ATOM 521 C LYS A 33 -6.813 -9.200 -5.347 1.00 12.37 C ATOM 522 O LYS A 33 -7.458 -10.271 -5.196 1.00 12.17 O ATOM 523 CB LYS A 33 -4.413 -8.826 -4.910 1.00 18.62 C ATOM 524 CG LYS A 33 -2.844 -9.099 -5.146 1.00 24.00 C ATOM 525 CD LYS A 33 -2.464 -10.603 -4.954 1.00 27.61 C ATOM 526 CE LYS A 33 -1.004 -10.806 -4.710 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.728 -12.187 -4.432 1.00 30.06 N ATOM 0 H LYS A 33 -4.355 -7.651 -6.765 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.346 -10.221 -6.454 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.541 -7.760 -4.724 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.708 -9.346 -3.999 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.571 -8.784 -6.153 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.264 -8.489 -4.453 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.028 -11.011 -4.115 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.761 -11.164 -5.840 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.435 -10.484 -5.582 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.680 -10.188 -3.872 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.291 -12.311 -4.265 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.256 -12.483 -3.586 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.019 -12.769 -5.243 1.00 30.06 H new ATOM 541 N GLU A 34 -7.288 -8.044 -4.936 1.00 10.11 N ATOM 542 CA GLU A 34 -8.414 -7.976 -3.973 1.00 10.07 C ATOM 543 C GLU A 34 -9.624 -7.330 -4.615 1.00 9.32 C ATOM 544 O GLU A 34 -10.718 -7.349 -4.069 1.00 11.61 O ATOM 545 CB GLU A 34 -8.051 -7.166 -2.723 1.00 14.77 C ATOM 546 CG GLU A 34 -6.949 -7.755 -1.782 1.00 18.75 C ATOM 547 CD GLU A 34 -7.411 -9.071 -1.160 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.613 -9.166 -0.752 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.643 -10.035 -1.021 1.00 21.95 O ATOM 0 H GLU A 34 -6.931 -7.137 -5.238 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.636 -9.003 -3.682 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.726 -6.176 -3.045 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.958 -7.028 -2.135 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.031 -7.918 -2.347 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.716 -7.038 -0.995 1.00 18.75 H new ATOM 556 N GLY A 35 -9.468 -6.732 -5.768 1.00 7.22 N ATOM 557 CA GLY A 35 -10.520 -6.149 -6.543 1.00 6.29 C ATOM 558 C GLY A 35 -10.967 -4.818 -6.106 1.00 6.93 C ATOM 559 O GLY A 35 -12.042 -4.410 -6.549 1.00 7.41 O ATOM 0 H GLY A 35 -8.554 -6.636 -6.210 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.188 -6.079 -7.579 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.376 -6.824 -6.527 1.00 6.29 H new ATOM 563 N ILE A 36 -10.130 -4.132 -5.348 1.00 5.86 N ATOM 564 CA ILE A 36 -10.398 -2.895 -4.666 1.00 6.07 C ATOM 565 C ILE A 36 -9.725 -1.774 -5.507 1.00 6.36 C ATOM 566 O ILE A 36 -8.494 -1.778 -5.577 1.00 6.18 O ATOM 567 CB ILE A 36 -9.749 -2.831 -3.272 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.110 -4.013 -2.392 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.021 -1.463 -2.551 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.286 -4.025 -1.080 1.00 9.49 C ATOM 0 H ILE A 36 -9.176 -4.456 -5.186 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.477 -2.794 -4.552 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.675 -2.896 -3.444 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.173 -3.978 -2.154 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.937 -4.940 -2.939 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.543 -1.467 -1.571 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.614 -0.649 -3.150 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.095 -1.323 -2.430 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.574 -4.887 -0.477 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.224 -4.087 -1.318 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.480 -3.110 -0.520 1.00 9.49 H new ATOM 582 N PRO A 37 -10.481 -0.867 -6.073 1.00 8.65 N ATOM 583 CA PRO A 37 -9.987 0.420 -6.576 1.00 9.18 C ATOM 584 C PRO A 37 -8.976 1.133 -5.711 1.00 9.85 C ATOM 585 O PRO A 37 -9.325 1.143 -4.509 1.00 8.51 O ATOM 586 CB PRO A 37 -11.242 1.227 -6.793 1.00 11.42 C ATOM 587 CG PRO A 37 -12.329 0.255 -6.870 1.00 9.27 C ATOM 588 CD PRO A 37 -11.918 -0.738 -5.838 1.00 8.33 C ATOM 0 HA PRO A 37 -9.401 0.267 -7.482 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.402 1.929 -5.975 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.176 1.814 -7.709 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.296 0.704 -6.644 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.409 -0.193 -7.861 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.134 -0.387 -4.829 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.436 -1.689 -5.962 1.00 8.33 H new ATOM 596 N PRO A 38 -7.907 1.728 -6.346 1.00 8.71 N ATOM 597 CA PRO A 38 -6.968 2.700 -5.742 1.00 9.08 C ATOM 598 C PRO A 38 -7.640 3.709 -4.808 1.00 9.28 C ATOM 599 O PRO A 38 -7.030 3.918 -3.761 1.00 6.50 O ATOM 600 CB PRO A 38 -6.127 3.323 -6.931 1.00 10.31 C ATOM 601 CG PRO A 38 -6.189 2.227 -7.971 1.00 10.81 C ATOM 602 CD PRO A 38 -7.552 1.610 -7.750 1.00 12.00 C ATOM 0 HA PRO A 38 -6.286 2.202 -5.053 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.562 4.254 -7.294 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.102 3.545 -6.633 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.087 2.625 -8.981 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.391 1.498 -7.834 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.296 2.111 -8.369 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.543 0.562 -8.048 1.00 12.00 H new ATOM 610 N ASP A 39 -8.743 4.355 -5.205 1.00 11.20 N ATOM 611 CA ASP A 39 -9.315 5.373 -4.310 1.00 14.96 C ATOM 612 C ASP A 39 -10.285 4.845 -3.329 1.00 13.99 C ATOM 613 O ASP A 39 -10.819 5.543 -2.518 1.00 13.75 O ATOM 614 CB ASP A 39 -9.850 6.608 -5.131 1.00 24.16 C ATOM 615 CG ASP A 39 -8.760 7.257 -5.984 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.868 7.958 -5.383 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.748 6.962 -7.178 1.00 35.55 O ATOM 0 H ASP A 39 -9.235 4.206 -6.086 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.498 5.731 -3.684 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.668 6.286 -5.775 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.259 7.348 -4.443 1.00 24.16 H new ATOM 622 N GLN A 40 -10.516 3.501 -3.321 1.00 11.60 N ATOM 623 CA GLN A 40 -11.298 2.844 -2.309 1.00 10.76 C ATOM 624 C GLN A 40 -10.418 2.285 -1.241 1.00 8.01 C ATOM 625 O GLN A 40 -10.886 1.756 -0.250 1.00 8.96 O ATOM 626 CB GLN A 40 -12.381 1.831 -2.760 1.00 11.14 C ATOM 627 CG GLN A 40 -13.528 2.435 -3.537 1.00 14.85 C ATOM 628 CD GLN A 40 -14.773 1.580 -3.725 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.129 1.341 -4.912 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.446 1.184 -2.665 1.00 18.16 N ATOM 0 H GLN A 40 -10.150 2.868 -4.032 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.913 3.652 -1.914 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.908 1.064 -3.374 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.781 1.331 -1.878 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.825 3.357 -3.037 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.157 2.712 -4.524 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.105 1.410 -1.731 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.309 0.652 -2.778 1.00 18.16 H new ATOM 639 N GLN A 41 -9.128 2.431 -1.433 1.00 6.52 N ATOM 640 CA GLN A 41 -8.029 2.119 -0.466 1.00 3.87 C ATOM 641 C GLN A 41 -7.478 3.333 0.370 1.00 4.79 C ATOM 642 O GLN A 41 -7.565 4.482 -0.055 1.00 6.34 O ATOM 643 CB GLN A 41 -6.786 1.533 -1.221 1.00 4.20 C ATOM 644 CG GLN A 41 -6.977 0.308 -2.143 1.00 3.20 C ATOM 645 CD GLN A 41 -5.820 0.150 -3.128 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.683 0.545 -2.944 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.153 -0.552 -4.236 1.00 7.13 N ATOM 0 H GLN A 41 -8.764 2.792 -2.315 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.501 1.419 0.223 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.359 2.335 -1.824 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.041 1.267 -0.471 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.063 -0.593 -1.536 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.912 0.411 -2.694 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.112 -0.872 -4.368 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.445 -0.761 -4.939 1.00 7.13 H new ATOM 656 N ARG A 42 -6.786 3.009 1.517 1.00 5.73 N ATOM 657 CA ARG A 42 -5.935 3.924 2.279 1.00 6.97 C ATOM 658 C ARG A 42 -4.704 3.127 2.716 1.00 7.15 C ATOM 659 O ARG A 42 -4.817 2.041 3.351 1.00 7.33 O ATOM 660 CB ARG A 42 -6.669 4.539 3.535 1.00 13.23 C ATOM 661 CG ARG A 42 -5.948 5.777 4.092 1.00 21.27 C ATOM 662 CD ARG A 42 -6.552 6.305 5.419 1.00 26.14 C ATOM 663 NE ARG A 42 -5.932 7.614 5.873 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.622 8.494 6.590 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.609 8.131 7.414 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.288 9.802 6.560 1.00 36.39 N ATOM 0 H ARG A 42 -6.823 2.075 1.925 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.664 4.773 1.651 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.688 4.810 3.259 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.741 3.782 4.316 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.898 5.533 4.253 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.981 6.572 3.347 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.626 6.442 5.294 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.415 5.555 6.198 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.965 7.822 5.622 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.857 7.146 7.510 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.114 8.839 7.947 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.505 10.115 5.986 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.819 10.477 7.111 1.00 36.39 H new ATOM 680 N LEU A 43 -3.522 3.721 2.496 1.00 4.65 N ATOM 681 CA LEU A 43 -2.266 3.040 2.687 1.00 3.51 C ATOM 682 C LEU A 43 -1.464 3.766 3.731 1.00 5.56 C ATOM 683 O LEU A 43 -1.299 4.983 3.722 1.00 4.19 O ATOM 684 CB LEU A 43 -1.283 2.843 1.580 1.00 3.74 C ATOM 685 CG LEU A 43 -1.783 2.159 0.295 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.666 2.035 -0.760 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.321 0.703 0.539 1.00 6.41 C ATOM 0 H LEU A 43 -3.427 4.687 2.181 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.653 2.044 2.904 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.885 3.820 1.307 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.451 2.257 1.970 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.591 2.802 -0.054 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.060 1.547 -1.651 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.301 3.028 -1.021 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.154 1.442 -0.354 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.658 0.277 -0.406 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.524 0.085 0.952 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.155 0.736 1.240 1.00 6.41 H new ATOM 699 N ILE A 44 -1.035 2.990 4.683 1.00 4.58 N ATOM 700 CA ILE A 44 -0.571 3.227 5.962 1.00 5.55 C ATOM 701 C ILE A 44 0.767 2.435 6.135 1.00 5.46 C ATOM 702 O ILE A 44 0.844 1.289 5.601 1.00 6.04 O ATOM 703 CB ILE A 44 -1.592 2.704 7.057 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.976 3.468 6.912 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.993 2.987 8.477 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.914 5.007 6.943 1.00 13.90 C ATOM 0 H ILE A 44 -1.014 1.986 4.506 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.438 4.301 6.095 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.758 1.635 6.923 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.438 3.163 5.973 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.635 3.136 7.714 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.685 2.632 9.241 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.041 2.467 8.580 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.836 4.059 8.599 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.919 5.414 6.835 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.489 5.335 7.892 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.289 5.363 6.124 1.00 13.90 H new ATOM 718 N PHE A 45 1.767 2.973 6.761 1.00 6.75 N ATOM 719 CA PHE A 45 2.979 2.385 7.167 1.00 4.70 C ATOM 720 C PHE A 45 3.469 3.090 8.414 1.00 6.34 C ATOM 721 O PHE A 45 3.620 4.298 8.555 1.00 5.45 O ATOM 722 CB PHE A 45 4.067 2.667 6.121 1.00 5.51 C ATOM 723 CG PHE A 45 5.371 1.999 6.288 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.514 0.593 6.102 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.526 2.793 6.546 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.827 0.036 6.139 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.820 2.230 6.428 1.00 6.64 C ATOM 728 CZ PHE A 45 7.986 0.843 6.242 1.00 6.84 C ATOM 0 H PHE A 45 1.735 3.958 7.026 1.00 6.75 H new ATOM 0 HA PHE A 45 2.808 1.318 7.313 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.672 2.390 5.144 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.242 3.743 6.101 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.651 -0.035 5.937 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.414 3.828 6.833 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.941 -1.037 6.087 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.688 2.870 6.481 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.972 0.407 6.180 1.00 6.84 H new ATOM 738 N ALA A 46 3.756 2.237 9.412 1.00 6.53 N ATOM 739 CA ALA A 46 4.142 2.648 10.739 1.00 7.15 C ATOM 740 C ALA A 46 3.263 3.668 11.522 1.00 9.00 C ATOM 741 O ALA A 46 3.736 4.569 12.196 1.00 11.15 O ATOM 742 CB ALA A 46 5.625 2.942 10.861 1.00 8.99 C ATOM 0 H ALA A 46 3.720 1.224 9.299 1.00 6.53 H new ATOM 0 HA ALA A 46 3.906 1.735 11.285 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.853 3.246 11.883 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.195 2.047 10.613 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.894 3.745 10.175 1.00 8.99 H new ATOM 748 N GLY A 47 1.937 3.464 11.440 1.00 9.35 N ATOM 749 CA GLY A 47 0.949 4.330 12.086 1.00 11.68 C ATOM 750 C GLY A 47 0.749 5.625 11.449 1.00 11.14 C ATOM 751 O GLY A 47 -0.045 6.484 11.992 1.00 13.93 O ATOM 0 H GLY A 47 1.524 2.689 10.921 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.006 3.806 12.115 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.254 4.494 13.119 1.00 11.68 H new ATOM 755 N LYS A 48 1.319 5.880 10.243 1.00 10.47 N ATOM 756 CA LYS A 48 1.211 7.139 9.448 1.00 8.82 C ATOM 757 C LYS A 48 0.930 6.781 8.001 1.00 7.68 C ATOM 758 O LYS A 48 1.047 5.648 7.539 1.00 6.47 O ATOM 759 CB LYS A 48 2.523 7.929 9.525 1.00 9.74 C ATOM 760 CG LYS A 48 3.819 7.276 8.998 1.00 14.14 C ATOM 761 CD LYS A 48 4.909 8.348 8.875 1.00 16.32 C ATOM 762 CE LYS A 48 6.099 8.038 7.935 1.00 20.04 C ATOM 763 NZ LYS A 48 7.125 9.140 7.935 1.00 23.92 N ATOM 0 H LYS A 48 1.895 5.182 9.773 1.00 10.47 H new ATOM 0 HA LYS A 48 0.405 7.752 9.851 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.379 8.862 8.980 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.688 8.193 10.570 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.144 6.486 9.675 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.638 6.811 8.029 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.439 9.270 8.533 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.306 8.542 9.871 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.570 7.105 8.244 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.729 7.888 6.921 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.903 8.890 7.292 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.683 10.026 7.616 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.498 9.267 8.897 1.00 23.92 H new ATOM 777 N GLN A 49 0.429 7.770 7.179 1.00 8.89 N ATOM 778 CA GLN A 49 0.007 7.557 5.769 1.00 7.18 C ATOM 779 C GLN A 49 1.256 7.419 4.877 1.00 8.23 C ATOM 780 O GLN A 49 2.321 7.880 5.195 1.00 9.70 O ATOM 781 CB GLN A 49 -0.758 8.765 5.222 1.00 11.67 C ATOM 782 CG GLN A 49 -2.105 8.838 5.989 1.00 15.82 C ATOM 783 CD GLN A 49 -2.972 9.883 5.219 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.094 9.422 4.888 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.512 11.111 4.935 1.00 20.67 N ATOM 0 H GLN A 49 0.312 8.734 7.490 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.621 6.666 5.756 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.184 9.681 5.364 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.930 8.659 4.151 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.595 7.865 6.014 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.951 9.144 7.024 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.583 11.393 5.249 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.091 11.762 4.405 1.00 20.67 H new ATOM 794 N LEU A 50 1.081 6.806 3.703 1.00 6.51 N ATOM 795 CA LEU A 50 2.022 6.778 2.614 1.00 7.41 C ATOM 796 C LEU A 50 1.536 7.744 1.576 1.00 8.27 C ATOM 797 O LEU A 50 0.334 7.987 1.421 1.00 8.34 O ATOM 798 CB LEU A 50 2.082 5.346 1.954 1.00 7.13 C ATOM 799 CG LEU A 50 2.586 4.280 2.883 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.738 2.912 2.189 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.955 4.645 3.301 1.00 9.11 C ATOM 0 H LEU A 50 0.227 6.291 3.490 1.00 6.51 H new ATOM 0 HA LEU A 50 3.013 7.035 2.988 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.086 5.073 1.606 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.726 5.386 1.076 1.00 7.13 H new ATOM 0 HG LEU A 50 1.869 4.207 3.701 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.105 2.179 2.907 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.770 2.590 1.804 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.446 2.999 1.365 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.344 3.884 3.978 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.598 4.712 2.423 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.935 5.608 3.811 1.00 9.11 H new ATOM 813 N GLU A 51 2.498 8.264 0.800 1.00 9.43 N ATOM 814 CA GLU A 51 2.333 9.370 -0.168 1.00 11.90 C ATOM 815 C GLU A 51 2.586 8.898 -1.633 1.00 11.49 C ATOM 816 O GLU A 51 3.538 8.246 -1.958 1.00 9.88 O ATOM 817 CB GLU A 51 3.265 10.567 0.124 1.00 16.56 C ATOM 818 CG GLU A 51 2.870 11.826 -0.681 1.00 26.06 C ATOM 819 CD GLU A 51 3.783 13.035 -0.346 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.105 13.325 0.816 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.297 13.675 -1.312 1.00 32.13 O ATOM 0 H GLU A 51 3.455 7.914 0.827 1.00 9.43 H new ATOM 0 HA GLU A 51 1.299 9.695 -0.055 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.237 10.796 1.189 1.00 16.56 H new ATOM 0 HB3 GLU A 51 4.292 10.292 -0.116 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.931 11.609 -1.747 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.833 12.084 -0.467 1.00 26.06 H new ATOM 828 N ASP A 52 1.555 9.222 -2.462 1.00 12.71 N ATOM 829 CA ASP A 52 1.376 8.626 -3.803 1.00 16.56 C ATOM 830 C ASP A 52 2.525 8.789 -4.811 1.00 15.83 C ATOM 831 O ASP A 52 2.850 7.825 -5.548 1.00 17.21 O ATOM 832 CB ASP A 52 0.021 9.138 -4.452 1.00 21.05 C ATOM 833 CG ASP A 52 -1.159 8.654 -3.659 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.325 9.139 -2.461 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.007 7.858 -4.191 1.00 25.82 O ATOM 0 H ASP A 52 0.833 9.899 -2.216 1.00 12.71 H new ATOM 0 HA ASP A 52 1.357 7.555 -3.600 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.018 10.227 -4.490 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.054 8.783 -5.480 1.00 21.05 H new ATOM 840 N GLY A 53 3.193 9.968 -4.879 1.00 15.00 N ATOM 841 CA GLY A 53 4.264 10.191 -5.798 1.00 11.77 C ATOM 842 C GLY A 53 5.649 10.158 -5.265 1.00 11.10 C ATOM 843 O GLY A 53 6.625 10.677 -5.798 1.00 11.25 O ATOM 0 H GLY A 53 2.981 10.770 -4.286 1.00 15.00 H new ATOM 0 HA2 GLY A 53 4.190 9.442 -6.587 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.108 11.163 -6.266 1.00 11.77 H new ATOM 847 N ARG A 54 5.806 9.476 -4.115 1.00 8.53 N ATOM 848 CA ARG A 54 6.968 9.112 -3.388 1.00 9.05 C ATOM 849 C ARG A 54 7.226 7.676 -3.691 1.00 8.96 C ATOM 850 O ARG A 54 6.284 7.019 -4.189 1.00 11.60 O ATOM 851 CB ARG A 54 6.784 9.278 -1.867 1.00 7.97 C ATOM 852 CG ARG A 54 6.457 10.694 -1.344 1.00 9.62 C ATOM 853 CD ARG A 54 7.587 11.711 -1.680 1.00 12.20 C ATOM 854 NE ARG A 54 7.224 13.037 -1.197 1.00 18.23 N ATOM 855 CZ ARG A 54 8.119 13.950 -0.842 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.409 13.895 -1.152 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.711 15.017 -0.205 1.00 23.38 N ATOM 0 H ARG A 54 4.977 9.132 -3.631 1.00 8.53 H new ATOM 0 HA ARG A 54 7.795 9.759 -3.681 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.985 8.608 -1.549 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.698 8.940 -1.378 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.519 11.035 -1.782 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.310 10.658 -0.265 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.523 11.392 -1.222 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.753 11.740 -2.757 1.00 12.20 H new ATOM 0 HE ARG A 54 6.234 13.275 -1.129 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.769 13.113 -1.698 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.040 14.635 -0.844 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.721 15.135 0.010 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.383 15.731 0.077 1.00 23.38 H new ATOM 871 N THR A 55 8.428 7.129 -3.428 1.00 9.05 N ATOM 872 CA THR A 55 8.690 5.750 -3.758 1.00 9.03 C ATOM 873 C THR A 55 8.846 4.937 -2.538 1.00 8.15 C ATOM 874 O THR A 55 8.759 5.381 -1.420 1.00 5.91 O ATOM 875 CB THR A 55 10.051 5.527 -4.535 1.00 11.15 C ATOM 876 OG1 THR A 55 11.225 5.894 -3.792 1.00 11.95 O ATOM 877 CG2 THR A 55 10.061 6.198 -5.904 1.00 11.71 C ATOM 0 H THR A 55 9.208 7.625 -2.996 1.00 9.05 H new ATOM 0 HA THR A 55 7.837 5.463 -4.373 1.00 9.03 H new ATOM 0 HB THR A 55 10.098 4.447 -4.677 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.070 6.747 -3.335 1.00 11.95 H new ATOM 0 HG21 THR A 55 11.018 6.013 -6.393 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.256 5.790 -6.515 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.916 7.272 -5.784 1.00 11.71 H new ATOM 885 N LEU A 56 9.029 3.595 -2.659 1.00 6.91 N ATOM 886 CA LEU A 56 9.244 2.692 -1.511 1.00 8.29 C ATOM 887 C LEU A 56 10.503 3.039 -0.714 1.00 8.05 C ATOM 888 O LEU A 56 10.548 3.086 0.535 1.00 10.17 O ATOM 889 CB LEU A 56 9.322 1.230 -2.011 1.00 6.60 C ATOM 890 CG LEU A 56 8.006 0.489 -2.242 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.396 0.881 -3.620 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.263 -1.033 -2.275 1.00 8.64 C ATOM 0 H LEU A 56 9.030 3.115 -3.559 1.00 6.91 H new ATOM 0 HA LEU A 56 8.397 2.816 -0.836 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.879 1.225 -2.948 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.907 0.659 -1.289 1.00 6.60 H new ATOM 0 HG LEU A 56 7.325 0.756 -1.434 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.459 0.344 -3.769 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.207 1.954 -3.642 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.094 0.619 -4.415 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.322 -1.557 -2.440 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.956 -1.268 -3.083 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.693 -1.350 -1.325 1.00 8.64 H new ATOM 904 N SER A 57 11.629 3.365 -1.417 1.00 8.92 N ATOM 905 CA SER A 57 12.876 3.789 -0.817 1.00 9.00 C ATOM 906 C SER A 57 12.770 4.976 0.031 1.00 9.44 C ATOM 907 O SER A 57 13.418 5.039 1.040 1.00 10.91 O ATOM 908 CB SER A 57 14.036 3.923 -1.877 1.00 10.32 C ATOM 909 OG SER A 57 15.337 3.881 -1.329 1.00 13.59 O ATOM 0 H SER A 57 11.668 3.331 -2.436 1.00 8.92 H new ATOM 0 HA SER A 57 13.142 2.980 -0.137 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.937 3.121 -2.608 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.912 4.863 -2.416 1.00 10.32 H new ATOM 0 HG SER A 57 15.998 3.968 -2.048 1.00 13.59 H new ATOM 915 N ASP A 58 11.959 5.975 -0.281 1.00 9.11 N ATOM 916 CA ASP A 58 11.797 7.155 0.542 1.00 7.91 C ATOM 917 C ASP A 58 11.270 6.875 1.951 1.00 9.12 C ATOM 918 O ASP A 58 11.416 7.674 2.862 1.00 8.61 O ATOM 919 CB ASP A 58 10.803 8.111 -0.089 1.00 8.41 C ATOM 920 CG ASP A 58 11.391 8.484 -1.408 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.577 8.956 -1.440 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.765 8.325 -2.493 1.00 11.70 O ATOM 0 H ASP A 58 11.388 5.985 -1.126 1.00 9.11 H new ATOM 0 HA ASP A 58 12.802 7.571 0.614 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.829 7.638 -0.213 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.653 8.991 0.537 1.00 8.41 H new ATOM 927 N TYR A 59 10.589 5.739 2.171 1.00 7.97 N ATOM 928 CA TYR A 59 9.896 5.344 3.411 1.00 8.45 C ATOM 929 C TYR A 59 10.831 4.331 4.030 1.00 10.98 C ATOM 930 O TYR A 59 10.476 3.891 5.116 1.00 12.95 O ATOM 931 CB TYR A 59 8.482 4.752 3.045 1.00 7.94 C ATOM 932 CG TYR A 59 7.552 5.862 2.798 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.246 6.633 3.919 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.884 6.050 1.587 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.460 7.765 3.789 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.030 7.148 1.446 1.00 6.52 C ATOM 937 CZ TYR A 59 5.796 8.013 2.580 1.00 6.76 C ATOM 938 OH TYR A 59 4.865 9.075 2.363 1.00 7.63 O ATOM 0 H TYR A 59 10.501 5.028 1.445 1.00 7.97 H new ATOM 0 HA TYR A 59 9.695 6.159 4.106 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.556 4.118 2.161 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.114 4.125 3.857 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.623 6.347 4.890 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.025 5.357 0.771 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.359 8.453 4.615 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.550 7.348 0.499 1.00 6.52 H new ATOM 0 HH TYR A 59 5.263 9.742 1.765 1.00 7.63 H new ATOM 948 N ASN A 60 11.939 3.844 3.344 1.00 12.38 N ATOM 949 CA ASN A 60 12.767 2.745 3.842 1.00 13.94 C ATOM 950 C ASN A 60 12.006 1.376 3.909 1.00 14.16 C ATOM 951 O ASN A 60 12.077 0.538 4.869 1.00 14.26 O ATOM 952 CB ASN A 60 13.550 3.155 5.159 1.00 19.23 C ATOM 953 CG ASN A 60 14.348 4.354 4.792 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.132 4.299 3.832 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.292 5.443 5.605 1.00 24.09 N ATOM 0 H ASN A 60 12.250 4.219 2.448 1.00 12.38 H new ATOM 0 HA ASN A 60 13.543 2.555 3.100 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.859 3.378 5.972 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.194 2.345 5.500 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.904 6.240 5.432 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.638 5.462 6.387 1.00 24.09 H new ATOM 962 N ILE A 61 11.341 1.115 2.763 1.00 11.08 N ATOM 963 CA ILE A 61 10.701 -0.125 2.587 1.00 11.78 C ATOM 964 C ILE A 61 11.688 -1.218 2.000 1.00 13.74 C ATOM 965 O ILE A 61 12.302 -1.036 0.970 1.00 14.60 O ATOM 966 CB ILE A 61 9.356 -0.063 1.909 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.275 0.832 2.557 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.761 -1.477 1.729 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.163 1.203 1.614 1.00 11.42 C ATOM 0 H ILE A 61 11.256 1.762 1.979 1.00 11.08 H new ATOM 0 HA ILE A 61 10.434 -0.461 3.589 1.00 11.78 H new ATOM 0 HB ILE A 61 9.599 0.414 0.959 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.853 0.314 3.418 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.744 1.742 2.931 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.791 -1.404 1.238 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.433 -2.079 1.118 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.639 -1.947 2.705 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.440 1.831 2.134 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.573 1.749 0.764 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.669 0.298 1.260 1.00 11.42 H new ATOM 981 N GLN A 62 11.739 -2.400 2.690 1.00 13.97 N ATOM 982 CA GLN A 62 12.788 -3.396 2.536 1.00 15.52 C ATOM 983 C GLN A 62 12.121 -4.748 2.610 1.00 13.94 C ATOM 984 O GLN A 62 10.926 -4.907 2.862 1.00 12.15 O ATOM 985 CB GLN A 62 13.987 -3.259 3.577 1.00 19.53 C ATOM 986 CG GLN A 62 14.596 -1.872 3.853 1.00 26.38 C ATOM 987 CD GLN A 62 15.636 -1.484 2.771 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.851 -1.582 3.079 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.188 -0.887 1.620 1.00 32.71 N ATOM 0 H GLN A 62 11.030 -2.668 3.373 1.00 13.97 H new ATOM 0 HA GLN A 62 13.277 -3.247 1.573 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.640 -3.659 4.530 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.793 -3.907 3.234 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.803 -1.124 3.882 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.072 -1.871 4.834 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.188 -0.839 1.427 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.855 -0.491 0.958 1.00 32.71 H new ATOM 998 N LYS A 63 12.830 -5.804 2.240 1.00 11.73 N ATOM 999 CA LYS A 63 12.347 -7.160 1.991 1.00 11.97 C ATOM 1000 C LYS A 63 11.747 -7.838 3.212 1.00 10.41 C ATOM 1001 O LYS A 63 12.418 -7.944 4.288 1.00 9.59 O ATOM 1002 CB LYS A 63 13.393 -8.048 1.310 1.00 13.73 C ATOM 1003 CG LYS A 63 14.664 -8.393 1.995 1.00 16.98 C ATOM 1004 CD LYS A 63 15.465 -9.305 1.039 1.00 20.19 C ATOM 1005 CE LYS A 63 16.831 -9.624 1.638 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.622 -10.498 0.711 1.00 25.97 N ATOM 0 H LYS A 63 13.837 -5.733 2.094 1.00 11.73 H new ATOM 0 HA LYS A 63 11.524 -7.030 1.288 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.900 -8.987 1.059 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.658 -7.566 0.369 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.230 -7.492 2.232 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.467 -8.903 2.938 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.914 -10.228 0.858 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.589 -8.814 0.074 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.376 -8.699 1.828 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.705 -10.123 2.599 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.549 -10.705 1.135 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.108 -11.388 0.550 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.758 -10.008 -0.196 1.00 25.97 H new ATOM 1020 N GLU A 64 10.454 -8.219 3.035 1.00 10.04 N ATOM 1021 CA GLU A 64 9.681 -8.929 3.999 1.00 10.94 C ATOM 1022 C GLU A 64 9.141 -8.024 5.071 1.00 9.74 C ATOM 1023 O GLU A 64 8.684 -8.424 6.151 1.00 9.42 O ATOM 1024 CB GLU A 64 10.417 -10.198 4.488 1.00 18.31 C ATOM 1025 CG GLU A 64 10.893 -11.123 3.290 1.00 24.16 C ATOM 1026 CD GLU A 64 11.528 -12.423 3.577 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.973 -12.582 4.739 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.446 -13.315 2.701 1.00 32.61 O ATOM 0 H GLU A 64 9.937 -8.018 2.179 1.00 10.04 H new ATOM 0 HA GLU A 64 8.781 -9.311 3.517 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.282 -9.906 5.083 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.757 -10.767 5.143 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.023 -11.317 2.663 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.595 -10.543 2.690 1.00 24.16 H new ATOM 1035 N SER A 65 9.201 -6.657 4.881 1.00 6.85 N ATOM 1036 CA SER A 65 8.611 -5.624 5.609 1.00 6.90 C ATOM 1037 C SER A 65 7.096 -5.676 5.549 1.00 4.72 C ATOM 1038 O SER A 65 6.542 -6.144 4.559 1.00 3.91 O ATOM 1039 CB SER A 65 8.896 -4.136 5.103 1.00 7.28 C ATOM 1040 OG SER A 65 10.251 -3.684 5.390 1.00 10.56 O ATOM 0 H SER A 65 9.745 -6.280 4.105 1.00 6.85 H new ATOM 0 HA SER A 65 9.054 -5.799 6.589 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.722 -4.085 4.028 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.185 -3.456 5.573 1.00 7.28 H new ATOM 0 HG SER A 65 10.870 -4.072 4.737 1.00 10.56 H new ATOM 1046 N THR A 66 6.406 -5.232 6.618 1.00 4.48 N ATOM 1047 CA THR A 66 5.013 -5.204 6.708 1.00 3.80 C ATOM 1048 C THR A 66 4.472 -3.795 6.604 1.00 4.60 C ATOM 1049 O THR A 66 4.860 -2.886 7.366 1.00 5.33 O ATOM 1050 CB THR A 66 4.435 -5.748 8.014 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.804 -7.131 8.114 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.834 -5.734 7.983 1.00 3.40 C ATOM 0 H THR A 66 6.866 -4.877 7.456 1.00 4.48 H new ATOM 0 HA THR A 66 4.712 -5.843 5.878 1.00 3.80 H new ATOM 0 HB THR A 66 4.807 -5.136 8.836 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.447 -7.506 8.946 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.448 -6.126 8.924 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.482 -4.712 7.844 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.481 -6.355 7.160 1.00 3.40 H new ATOM 1060 N LEU A 67 3.501 -3.572 5.626 1.00 4.17 N ATOM 1061 CA LEU A 67 2.710 -2.363 5.439 1.00 3.85 C ATOM 1062 C LEU A 67 1.225 -2.614 5.860 1.00 3.80 C ATOM 1063 O LEU A 67 0.850 -3.727 6.227 1.00 5.54 O ATOM 1064 CB LEU A 67 2.649 -2.089 3.892 1.00 7.18 C ATOM 1065 CG LEU A 67 3.807 -1.202 3.325 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.161 -1.916 3.171 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.434 -0.601 1.950 1.00 11.66 C ATOM 0 H LEU A 67 3.270 -4.288 4.937 1.00 4.17 H new ATOM 0 HA LEU A 67 3.152 -1.554 6.020 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.657 -3.046 3.369 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.698 -1.608 3.662 1.00 7.18 H new ATOM 0 HG LEU A 67 3.929 -0.427 4.082 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.897 -1.218 2.772 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.494 -2.278 4.144 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.052 -2.759 2.488 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.259 0.010 1.584 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.237 -1.406 1.242 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.543 0.018 2.053 1.00 11.66 H new ATOM 1079 N HIS A 68 0.368 -1.578 5.866 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.919 -1.688 6.480 1.00 4.17 C ATOM 1081 C HIS A 68 -1.995 -1.024 5.592 1.00 5.32 C ATOM 1082 O HIS A 68 -1.784 0.015 5.018 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.868 -1.098 7.889 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.378 -1.965 9.036 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.976 -2.080 9.305 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.000 -2.690 10.015 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.110 -2.759 10.426 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.063 -3.147 10.895 1.00 16.30 N ATOM 0 H HIS A 68 0.564 -0.668 5.448 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.197 -2.737 6.577 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.233 -0.213 7.852 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.873 -0.759 8.140 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.063 -2.872 10.081 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.057 -2.971 10.901 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.234 -3.682 11.746 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.144 -1.653 5.391 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.227 -1.168 4.571 1.00 3.97 C ATOM 1098 C LEU A 69 -5.417 -0.902 5.446 1.00 5.07 C ATOM 1099 O LEU A 69 -5.791 -1.639 6.339 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.519 -2.123 3.408 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.712 -1.909 2.559 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.487 -0.829 1.508 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.215 -3.171 1.776 1.00 9.96 C ATOM 0 H LEU A 69 -3.349 -2.556 5.818 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.947 -0.227 4.098 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.648 -2.112 2.753 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.593 -3.128 3.824 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.466 -1.622 3.292 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.391 -0.709 0.910 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.250 0.114 2.000 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.659 -1.118 0.860 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.092 -2.907 1.185 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.426 -3.527 1.114 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.477 -3.958 2.484 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.064 0.249 5.195 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.329 0.618 5.653 1.00 6.26 C ATOM 1117 C VAL A 70 -8.160 0.969 4.415 1.00 9.22 C ATOM 1118 O VAL A 70 -7.667 1.221 3.282 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.254 1.813 6.623 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.646 2.045 7.164 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.266 1.480 7.764 1.00 8.54 C ATOM 0 H VAL A 70 -5.644 0.975 4.615 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.785 -0.199 6.213 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.899 2.713 6.121 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.632 2.886 7.857 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.325 2.265 6.340 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.987 1.151 7.686 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.209 2.322 8.453 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.613 0.596 8.299 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.278 1.287 7.345 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.480 0.870 4.443 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.364 1.281 3.378 1.00 16.06 C ATOM 1133 C LEU A 71 -10.644 2.817 3.259 1.00 18.09 C ATOM 1134 O LEU A 71 -10.239 3.552 4.140 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.611 0.378 3.397 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.328 -1.098 3.082 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.665 -1.876 3.060 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.605 -1.334 1.763 1.00 19.57 C ATOM 0 H LEU A 71 -9.979 0.484 5.244 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.838 1.127 2.436 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.078 0.444 4.380 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.332 0.760 2.675 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.660 -1.451 3.868 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.472 -2.925 2.837 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.149 -1.795 4.033 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.318 -1.456 2.294 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.446 -2.403 1.621 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.208 -0.945 0.943 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.642 -0.823 1.779 1.00 19.57 H new