USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot 180:sc= 0.0264 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.589 K(o=-0.56,f=-1.1) USER MOD Set 2.1: A 7 THR OG1 : rot 142:sc= 1.65 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00755) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.28 (180deg=0.972) USER MOD Single : A 2 GLN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= 0.784 (180deg=-1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0.958) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.107) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.0848 X(o=0.085,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0.0697 K(o=0.07,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.149) USER MOD Single : A 49 GLN : amide:sc= 1.08 K(o=1.1,f=-7.9!) USER MOD Single : A 55 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= -0.122 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.93!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.119 K(o=0.12,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.925 -4.689 -3.900 1.00 0.78 N ATOM 2 CA MET A 1 12.616 -5.349 -2.611 1.00 0.70 C ATOM 3 C MET A 1 11.170 -5.653 -2.430 1.00 0.62 C ATOM 4 O MET A 1 10.234 -5.146 -3.047 1.00 0.68 O ATOM 5 CB MET A 1 13.013 -4.350 -1.510 1.00 0.75 C ATOM 6 CG MET A 1 12.181 -3.069 -1.414 1.00 0.79 C ATOM 7 SD MET A 1 12.797 -1.857 -0.207 1.00 1.10 S ATOM 8 CE MET A 1 11.380 -0.722 -0.235 1.00 0.84 C ATOM 0 H1 MET A 1 13.845 -4.208 -3.832 1.00 0.78 H new ATOM 0 H2 MET A 1 12.963 -5.403 -4.655 1.00 0.78 H new ATOM 0 H3 MET A 1 12.185 -3.992 -4.119 1.00 0.78 H new ATOM 0 HA MET A 1 13.153 -6.297 -2.575 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.961 -4.863 -0.550 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.055 -4.069 -1.665 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.147 -2.599 -2.397 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.157 -3.335 -1.152 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.585 0.132 0.410 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.212 -0.375 -1.254 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.491 -1.241 0.123 1.00 0.84 H new ATOM 20 N GLN A 2 10.932 -6.577 -1.482 1.00 0.59 N ATOM 21 CA GLN A 2 9.637 -7.117 -1.204 1.00 0.56 C ATOM 22 C GLN A 2 8.925 -6.293 -0.188 1.00 0.50 C ATOM 23 O GLN A 2 9.422 -6.055 0.913 1.00 0.60 O ATOM 24 CB GLN A 2 9.700 -8.595 -0.782 1.00 0.71 C ATOM 25 CG GLN A 2 10.465 -9.540 -1.711 1.00 1.15 C ATOM 26 CD GLN A 2 9.717 -9.826 -3.005 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.229 -10.919 -3.287 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.830 -8.864 -3.961 1.00 1.72 N ATOM 0 H GLN A 2 11.667 -6.962 -0.888 1.00 0.59 H new ATOM 0 HA GLN A 2 9.067 -7.080 -2.132 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.154 -8.648 0.207 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.680 -8.965 -0.684 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.436 -9.104 -1.946 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.655 -10.479 -1.191 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.235 -7.957 -3.727 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.510 -9.050 -4.912 1.00 1.72 H new ATOM 37 N ILE A 3 7.704 -5.822 -0.496 1.00 0.44 N ATOM 38 CA ILE A 3 6.914 -5.297 0.575 1.00 0.42 C ATOM 39 C ILE A 3 5.676 -6.125 0.575 1.00 0.40 C ATOM 40 O ILE A 3 5.184 -6.515 -0.483 1.00 0.50 O ATOM 41 CB ILE A 3 6.565 -3.839 0.509 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.770 -3.524 -0.769 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.835 -3.002 0.735 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.213 -2.101 -0.806 1.00 0.72 C ATOM 0 H ILE A 3 7.282 -5.802 -1.425 1.00 0.44 H new ATOM 0 HA ILE A 3 7.504 -5.353 1.490 1.00 0.42 H new ATOM 0 HB ILE A 3 5.885 -3.560 1.313 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.414 -3.676 -1.635 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.945 -4.231 -0.858 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.585 -1.942 0.688 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.253 -3.233 1.715 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.568 -3.237 -0.037 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.664 -1.949 -1.735 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.543 -1.951 0.040 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.035 -1.387 -0.749 1.00 0.72 H new ATOM 56 N PHE A 4 5.086 -6.373 1.759 1.00 0.37 N ATOM 57 CA PHE A 4 3.918 -7.124 2.099 1.00 0.38 C ATOM 58 C PHE A 4 2.852 -6.089 2.204 1.00 0.39 C ATOM 59 O PHE A 4 3.059 -5.071 2.861 1.00 0.60 O ATOM 60 CB PHE A 4 4.008 -8.043 3.328 1.00 0.45 C ATOM 61 CG PHE A 4 4.998 -9.106 2.997 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.588 -10.085 2.121 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.323 -9.033 3.359 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.501 -10.984 1.623 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.241 -9.880 2.785 1.00 1.40 C ATOM 66 CZ PHE A 4 6.836 -10.876 1.930 1.00 0.85 C ATOM 0 H PHE A 4 5.500 -5.981 2.605 1.00 0.37 H new ATOM 0 HA PHE A 4 3.725 -7.877 1.335 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.322 -7.482 4.208 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.035 -8.478 3.558 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.551 -10.147 1.825 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.642 -8.310 4.095 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.165 -11.786 0.982 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.291 -9.761 3.008 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.554 -11.562 1.506 1.00 0.85 H new ATOM 76 N VAL A 5 1.661 -6.325 1.624 1.00 0.35 N ATOM 77 CA VAL A 5 0.496 -5.508 1.765 1.00 0.35 C ATOM 78 C VAL A 5 -0.631 -6.416 2.118 1.00 0.35 C ATOM 79 O VAL A 5 -1.227 -7.132 1.314 1.00 0.46 O ATOM 80 CB VAL A 5 0.179 -4.780 0.492 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.002 -3.814 0.683 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.333 -4.037 -0.203 1.00 0.56 C ATOM 0 H VAL A 5 1.503 -7.133 1.022 1.00 0.35 H new ATOM 0 HA VAL A 5 0.662 -4.754 2.535 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.073 -5.595 -0.186 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.208 -3.301 -0.256 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.884 -4.375 0.992 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.752 -3.081 1.450 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.963 -3.557 -1.109 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.736 -3.281 0.470 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.118 -4.747 -0.463 1.00 0.56 H new ATOM 92 N LYS A 6 -1.026 -6.345 3.401 1.00 0.36 N ATOM 93 CA LYS A 6 -2.043 -7.198 3.933 1.00 0.39 C ATOM 94 C LYS A 6 -3.389 -6.557 3.948 1.00 0.46 C ATOM 95 O LYS A 6 -3.556 -5.346 4.075 1.00 0.53 O ATOM 96 CB LYS A 6 -1.742 -7.484 5.414 1.00 0.54 C ATOM 97 CG LYS A 6 -2.646 -8.566 6.009 1.00 1.22 C ATOM 98 CD LYS A 6 -1.994 -9.394 7.118 1.00 1.37 C ATOM 99 CE LYS A 6 -2.694 -10.641 7.662 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.214 -10.995 9.017 1.00 2.09 N ATOM 0 H LYS A 6 -0.636 -5.689 4.077 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.047 -8.085 3.299 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.701 -7.792 5.515 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.859 -6.564 5.987 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.545 -8.094 6.405 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.964 -9.237 5.211 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.015 -9.706 6.755 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.823 -8.726 7.962 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -3.770 -10.470 7.691 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.522 -11.478 6.986 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.712 -11.845 9.351 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.192 -11.183 8.985 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.401 -10.206 9.669 1.00 2.09 H new ATOM 114 N THR A 7 -4.461 -7.325 3.677 1.00 0.58 N ATOM 115 CA THR A 7 -5.810 -6.859 3.744 1.00 0.78 C ATOM 116 C THR A 7 -6.391 -6.856 5.115 1.00 0.94 C ATOM 117 O THR A 7 -5.728 -7.312 6.045 1.00 0.99 O ATOM 118 CB THR A 7 -6.751 -7.690 2.921 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.899 -9.026 3.380 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.214 -7.896 1.495 1.00 0.92 C ATOM 0 H THR A 7 -4.384 -8.304 3.402 1.00 0.58 H new ATOM 0 HA THR A 7 -5.725 -5.840 3.366 1.00 0.78 H new ATOM 0 HB THR A 7 -7.685 -7.132 2.981 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.833 -9.305 3.279 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.918 -8.502 0.925 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.091 -6.928 1.009 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.251 -8.405 1.539 1.00 0.92 H new ATOM 128 N LEU A 8 -7.651 -6.425 5.307 1.00 1.17 N ATOM 129 CA LEU A 8 -8.398 -6.425 6.526 1.00 1.39 C ATOM 130 C LEU A 8 -8.940 -7.800 6.708 1.00 1.44 C ATOM 131 O LEU A 8 -9.206 -8.287 7.806 1.00 1.60 O ATOM 132 CB LEU A 8 -9.447 -5.301 6.542 1.00 1.66 C ATOM 133 CG LEU A 8 -10.398 -5.349 7.750 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.755 -5.135 9.129 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.437 -4.227 7.584 1.00 2.43 C ATOM 0 H LEU A 8 -8.195 -6.041 4.535 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.771 -6.195 7.388 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -8.934 -4.339 6.535 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.036 -5.355 5.627 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.804 -6.361 7.745 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.523 -5.191 9.901 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.007 -5.908 9.305 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.279 -4.155 9.160 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.125 -4.240 8.430 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.929 -3.264 7.544 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -11.995 -4.381 6.660 1.00 2.43 H new ATOM 147 N THR A 9 -9.238 -8.547 5.629 1.00 1.41 N ATOM 148 CA THR A 9 -9.928 -9.796 5.534 1.00 1.51 C ATOM 149 C THR A 9 -9.088 -10.943 5.980 1.00 1.37 C ATOM 150 O THR A 9 -9.536 -11.767 6.777 1.00 1.62 O ATOM 151 CB THR A 9 -10.478 -9.929 4.145 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.444 -9.982 3.173 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.395 -8.724 3.877 1.00 2.08 C ATOM 0 H THR A 9 -8.955 -8.227 4.703 1.00 1.41 H new ATOM 0 HA THR A 9 -10.769 -9.814 6.227 1.00 1.51 H new ATOM 0 HB THR A 9 -11.035 -10.863 4.070 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.838 -10.070 2.280 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.808 -8.798 2.871 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.208 -8.717 4.603 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.820 -7.802 3.966 1.00 2.08 H new ATOM 161 N GLY A 10 -7.810 -11.039 5.575 1.00 1.18 N ATOM 162 CA GLY A 10 -7.008 -12.073 6.153 1.00 1.22 C ATOM 163 C GLY A 10 -5.834 -12.484 5.332 1.00 0.99 C ATOM 164 O GLY A 10 -4.939 -13.195 5.783 1.00 1.31 O ATOM 0 H GLY A 10 -7.351 -10.440 4.888 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.653 -11.737 7.127 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.636 -12.947 6.327 1.00 1.22 H new ATOM 168 N LYS A 11 -5.743 -11.877 4.135 1.00 0.73 N ATOM 169 CA LYS A 11 -4.765 -12.293 3.179 1.00 0.60 C ATOM 170 C LYS A 11 -3.675 -11.306 2.938 1.00 0.51 C ATOM 171 O LYS A 11 -3.893 -10.096 2.915 1.00 0.63 O ATOM 172 CB LYS A 11 -5.357 -12.740 1.832 1.00 0.75 C ATOM 173 CG LYS A 11 -5.858 -11.621 0.916 1.00 0.87 C ATOM 174 CD LYS A 11 -6.261 -12.149 -0.463 1.00 1.04 C ATOM 175 CE LYS A 11 -6.413 -10.978 -1.435 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.740 -11.342 -2.832 1.00 1.40 N ATOM 0 H LYS A 11 -6.339 -11.107 3.832 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.322 -13.163 3.663 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -4.598 -13.310 1.295 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.186 -13.420 2.029 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.712 -11.128 1.380 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.078 -10.868 0.803 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.508 -12.845 -0.831 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -7.198 -12.701 -0.393 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -7.194 -10.317 -1.059 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.484 -10.407 -1.435 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.982 -11.012 -3.463 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.830 -12.375 -2.910 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.638 -10.895 -3.106 1.00 1.40 H new ATOM 190 N THR A 12 -2.442 -11.831 2.825 1.00 0.49 N ATOM 191 CA THR A 12 -1.353 -10.947 2.547 1.00 0.48 C ATOM 192 C THR A 12 -0.922 -10.987 1.121 1.00 0.52 C ATOM 193 O THR A 12 -0.598 -12.098 0.704 1.00 0.72 O ATOM 194 CB THR A 12 -0.156 -11.360 3.352 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.608 -11.732 4.645 1.00 0.77 O ATOM 196 CG2 THR A 12 0.845 -10.199 3.481 1.00 0.78 C ATOM 0 H THR A 12 -2.204 -12.818 2.920 1.00 0.49 H new ATOM 0 HA THR A 12 -1.707 -9.946 2.793 1.00 0.48 H new ATOM 0 HB THR A 12 0.347 -12.190 2.856 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.157 -12.008 5.192 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.704 -10.523 4.069 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.178 -9.894 2.489 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.363 -9.356 3.977 1.00 0.78 H new ATOM 204 N ILE A 13 -0.800 -9.845 0.422 1.00 0.48 N ATOM 205 CA ILE A 13 -0.318 -9.857 -0.924 1.00 0.55 C ATOM 206 C ILE A 13 1.063 -9.300 -0.891 1.00 0.51 C ATOM 207 O ILE A 13 1.384 -8.412 -0.102 1.00 0.56 O ATOM 208 CB ILE A 13 -1.055 -9.211 -2.060 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.231 -7.686 -1.975 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.429 -9.886 -2.210 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.963 -6.974 -3.111 1.00 1.55 C ATOM 0 H ILE A 13 -1.033 -8.920 0.785 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.446 -10.906 -1.190 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.423 -9.361 -2.935 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.761 -7.464 -1.049 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.239 -7.242 -1.889 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.973 -9.424 -3.033 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -2.292 -10.948 -2.416 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.996 -9.766 -1.287 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.005 -5.905 -2.903 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.431 -7.141 -4.048 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.976 -7.367 -3.194 1.00 1.55 H new ATOM 223 N THR A 14 1.859 -9.884 -1.804 1.00 0.55 N ATOM 224 CA THR A 14 3.235 -9.536 -1.978 1.00 0.54 C ATOM 225 C THR A 14 3.446 -8.572 -3.094 1.00 0.55 C ATOM 226 O THR A 14 2.967 -8.811 -4.203 1.00 0.72 O ATOM 227 CB THR A 14 3.971 -10.806 -2.288 1.00 0.67 C ATOM 228 OG1 THR A 14 3.548 -11.877 -1.457 1.00 1.08 O ATOM 229 CG2 THR A 14 5.481 -10.679 -2.023 1.00 1.03 C ATOM 0 H THR A 14 1.538 -10.616 -2.437 1.00 0.55 H new ATOM 0 HA THR A 14 3.595 -9.054 -1.069 1.00 0.54 H new ATOM 0 HB THR A 14 3.760 -10.997 -3.340 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.048 -12.688 -1.689 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.973 -11.622 -2.261 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.894 -9.886 -2.647 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.647 -10.438 -0.973 1.00 1.03 H new ATOM 237 N LEU A 15 4.261 -7.529 -2.855 1.00 0.50 N ATOM 238 CA LEU A 15 4.547 -6.522 -3.829 1.00 0.55 C ATOM 239 C LEU A 15 6.017 -6.447 -4.058 1.00 0.52 C ATOM 240 O LEU A 15 6.854 -6.585 -3.168 1.00 0.58 O ATOM 241 CB LEU A 15 3.966 -5.166 -3.394 1.00 0.69 C ATOM 242 CG LEU A 15 2.979 -4.581 -4.417 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.670 -5.374 -4.575 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.655 -3.152 -3.948 1.00 1.55 C ATOM 0 H LEU A 15 4.733 -7.382 -1.963 1.00 0.50 H new ATOM 0 HA LEU A 15 4.071 -6.787 -4.773 1.00 0.55 H new ATOM 0 HB2 LEU A 15 3.460 -5.284 -2.436 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.782 -4.460 -3.239 1.00 0.69 H new ATOM 0 HG LEU A 15 3.453 -4.618 -5.398 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.037 -4.887 -5.317 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.897 -6.389 -4.902 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.148 -5.409 -3.619 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.954 -2.691 -4.644 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.209 -3.188 -2.954 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.572 -2.564 -3.913 1.00 1.55 H new ATOM 256 N GLU A 16 6.490 -6.223 -5.296 1.00 0.59 N ATOM 257 CA GLU A 16 7.862 -5.912 -5.560 1.00 0.63 C ATOM 258 C GLU A 16 7.967 -4.480 -5.960 1.00 0.65 C ATOM 259 O GLU A 16 7.275 -4.026 -6.870 1.00 0.81 O ATOM 260 CB GLU A 16 8.437 -6.756 -6.710 1.00 0.76 C ATOM 261 CG GLU A 16 9.962 -6.740 -6.825 1.00 1.41 C ATOM 262 CD GLU A 16 10.479 -7.936 -7.612 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.293 -7.976 -8.857 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.188 -8.771 -6.992 1.00 1.92 O ATOM 0 H GLU A 16 5.908 -6.258 -6.133 1.00 0.59 H new ATOM 0 HA GLU A 16 8.424 -6.125 -4.651 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.108 -7.787 -6.583 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.013 -6.400 -7.649 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.281 -5.818 -7.312 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.402 -6.742 -5.828 1.00 1.41 H new ATOM 271 N VAL A 17 8.789 -3.736 -5.199 1.00 0.61 N ATOM 272 CA VAL A 17 8.919 -2.313 -5.267 1.00 0.63 C ATOM 273 C VAL A 17 10.371 -1.983 -5.213 1.00 0.65 C ATOM 274 O VAL A 17 11.148 -2.687 -4.569 1.00 0.76 O ATOM 275 CB VAL A 17 8.211 -1.512 -4.216 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.684 -1.640 -4.355 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.534 -1.974 -2.785 1.00 0.92 C ATOM 0 H VAL A 17 9.399 -4.152 -4.495 1.00 0.61 H new ATOM 0 HA VAL A 17 8.430 -2.029 -6.199 1.00 0.63 H new ATOM 0 HB VAL A 17 8.556 -0.490 -4.371 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.197 -1.049 -3.580 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.376 -1.277 -5.335 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.395 -2.686 -4.249 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.991 -1.355 -2.071 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.236 -3.015 -2.663 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.605 -1.880 -2.605 1.00 0.92 H new ATOM 287 N GLU A 18 10.802 -0.832 -5.758 1.00 0.68 N ATOM 288 CA GLU A 18 12.004 -0.087 -5.544 1.00 0.74 C ATOM 289 C GLU A 18 11.728 0.970 -4.531 1.00 0.71 C ATOM 290 O GLU A 18 10.576 1.372 -4.377 1.00 0.74 O ATOM 291 CB GLU A 18 12.473 0.522 -6.876 1.00 0.88 C ATOM 292 CG GLU A 18 12.633 -0.426 -8.067 1.00 1.16 C ATOM 293 CD GLU A 18 13.659 -1.541 -7.931 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.632 -1.352 -7.153 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.637 -2.622 -8.577 1.00 2.35 O ATOM 0 H GLU A 18 10.218 -0.360 -6.448 1.00 0.68 H new ATOM 0 HA GLU A 18 12.800 -0.733 -5.173 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.764 1.301 -7.158 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.432 1.011 -6.704 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.664 -0.881 -8.270 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.895 0.170 -8.941 1.00 1.16 H new ATOM 302 N PRO A 19 12.663 1.442 -3.762 1.00 0.74 N ATOM 303 CA PRO A 19 12.426 2.377 -2.701 1.00 0.74 C ATOM 304 C PRO A 19 12.205 3.752 -3.230 1.00 0.70 C ATOM 305 O PRO A 19 11.729 4.629 -2.511 1.00 0.74 O ATOM 306 CB PRO A 19 13.661 2.296 -1.806 1.00 0.86 C ATOM 307 CG PRO A 19 14.799 1.711 -2.656 1.00 0.95 C ATOM 308 CD PRO A 19 14.018 0.911 -3.710 1.00 0.82 C ATOM 0 HA PRO A 19 11.521 2.138 -2.143 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.930 3.283 -1.430 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.466 1.667 -0.938 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.416 2.489 -3.106 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.464 1.077 -2.070 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.498 0.994 -4.685 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.003 -0.148 -3.451 1.00 0.82 H new ATOM 316 N SER A 20 12.410 3.921 -4.548 1.00 0.70 N ATOM 317 CA SER A 20 12.180 5.122 -5.290 1.00 0.74 C ATOM 318 C SER A 20 10.833 5.122 -5.926 1.00 0.71 C ATOM 319 O SER A 20 10.418 6.087 -6.567 1.00 0.80 O ATOM 320 CB SER A 20 13.109 5.306 -6.502 1.00 0.89 C ATOM 321 OG SER A 20 14.454 5.097 -6.097 1.00 1.45 O ATOM 0 H SER A 20 12.761 3.165 -5.136 1.00 0.70 H new ATOM 0 HA SER A 20 12.330 5.898 -4.540 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.841 4.603 -7.291 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.993 6.308 -6.915 1.00 0.89 H new ATOM 0 HG SER A 20 15.049 5.212 -6.867 1.00 1.45 H new ATOM 327 N ASP A 21 10.008 4.074 -5.750 1.00 0.70 N ATOM 328 CA ASP A 21 8.662 4.021 -6.230 1.00 0.73 C ATOM 329 C ASP A 21 7.798 4.830 -5.326 1.00 0.64 C ATOM 330 O ASP A 21 7.973 4.885 -4.109 1.00 0.66 O ATOM 331 CB ASP A 21 8.107 2.589 -6.305 1.00 0.87 C ATOM 332 CG ASP A 21 8.506 1.843 -7.571 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.329 2.420 -8.676 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.100 0.735 -7.490 1.00 1.50 O ATOM 0 H ASP A 21 10.291 3.229 -5.253 1.00 0.70 H new ATOM 0 HA ASP A 21 8.662 4.419 -7.245 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.456 2.028 -5.438 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.019 2.627 -6.244 1.00 0.87 H new ATOM 339 N THR A 22 6.821 5.520 -5.942 1.00 0.63 N ATOM 340 CA THR A 22 5.864 6.342 -5.271 1.00 0.58 C ATOM 341 C THR A 22 4.689 5.583 -4.757 1.00 0.53 C ATOM 342 O THR A 22 4.422 4.464 -5.195 1.00 0.58 O ATOM 343 CB THR A 22 5.260 7.463 -6.064 1.00 0.63 C ATOM 344 OG1 THR A 22 5.059 6.840 -7.325 1.00 0.70 O ATOM 345 CG2 THR A 22 6.253 8.619 -6.276 1.00 0.75 C ATOM 0 H THR A 22 6.693 5.503 -6.954 1.00 0.63 H new ATOM 0 HA THR A 22 6.494 6.750 -4.481 1.00 0.58 H new ATOM 0 HB THR A 22 4.379 7.885 -5.581 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.658 7.482 -7.947 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.774 9.409 -6.855 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.562 9.015 -5.309 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.127 8.254 -6.815 1.00 0.75 H new ATOM 353 N ILE A 23 3.781 6.211 -3.989 1.00 0.51 N ATOM 354 CA ILE A 23 2.529 5.637 -3.603 1.00 0.48 C ATOM 355 C ILE A 23 1.621 5.406 -4.762 1.00 0.48 C ATOM 356 O ILE A 23 0.885 4.422 -4.810 1.00 0.51 O ATOM 357 CB ILE A 23 1.932 6.459 -2.500 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.991 6.627 -1.398 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.697 5.734 -1.937 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.718 5.396 -0.859 1.00 0.73 C ATOM 0 H ILE A 23 3.924 7.153 -3.623 1.00 0.51 H new ATOM 0 HA ILE A 23 2.696 4.634 -3.209 1.00 0.48 H new ATOM 0 HB ILE A 23 1.627 7.437 -2.873 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.748 7.315 -1.775 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.508 7.117 -0.553 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.260 6.329 -1.135 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.038 5.599 -2.730 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.993 4.760 -1.547 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.428 5.700 -0.090 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.993 4.704 -0.431 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.253 4.904 -1.672 1.00 0.73 H new ATOM 372 N GLU A 24 1.599 6.284 -5.781 1.00 0.50 N ATOM 373 CA GLU A 24 0.994 6.014 -7.048 1.00 0.53 C ATOM 374 C GLU A 24 1.451 4.777 -7.742 1.00 0.50 C ATOM 375 O GLU A 24 0.616 3.935 -8.067 1.00 0.55 O ATOM 376 CB GLU A 24 0.918 7.186 -8.040 1.00 0.64 C ATOM 377 CG GLU A 24 0.350 8.523 -7.557 1.00 0.95 C ATOM 378 CD GLU A 24 1.561 9.361 -7.173 1.00 1.05 C ATOM 379 OE1 GLU A 24 2.228 8.939 -6.191 1.00 1.62 O ATOM 380 OE2 GLU A 24 1.824 10.335 -7.928 1.00 1.56 O ATOM 0 H GLU A 24 2.016 7.213 -5.721 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.026 5.832 -6.711 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.926 7.370 -8.412 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.319 6.861 -8.891 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.232 9.009 -8.340 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.316 8.382 -6.706 1.00 0.95 H new ATOM 387 N ASN A 25 2.774 4.556 -7.848 1.00 0.51 N ATOM 388 CA ASN A 25 3.317 3.356 -8.404 1.00 0.52 C ATOM 389 C ASN A 25 2.965 2.145 -7.609 1.00 0.47 C ATOM 390 O ASN A 25 2.618 1.104 -8.167 1.00 0.53 O ATOM 391 CB ASN A 25 4.849 3.380 -8.532 1.00 0.64 C ATOM 392 CG ASN A 25 5.370 4.584 -9.304 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.600 5.230 -10.012 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.702 4.841 -9.206 1.00 1.57 N ATOM 0 H ASN A 25 3.480 5.225 -7.541 1.00 0.51 H new ATOM 0 HA ASN A 25 2.867 3.306 -9.396 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.290 3.378 -7.535 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.179 2.468 -9.029 1.00 0.64 H new ATOM 0 HD21 ASN A 25 7.114 5.607 -9.739 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.289 4.268 -8.600 1.00 1.57 H new ATOM 401 N VAL A 26 2.905 2.259 -6.271 1.00 0.45 N ATOM 402 CA VAL A 26 2.499 1.248 -5.345 1.00 0.44 C ATOM 403 C VAL A 26 1.084 0.832 -5.560 1.00 0.40 C ATOM 404 O VAL A 26 0.752 -0.351 -5.604 1.00 0.44 O ATOM 405 CB VAL A 26 2.857 1.658 -3.947 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.180 0.836 -2.838 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.382 1.526 -3.796 1.00 0.62 C ATOM 0 H VAL A 26 3.161 3.127 -5.801 1.00 0.45 H new ATOM 0 HA VAL A 26 3.058 0.330 -5.528 1.00 0.44 H new ATOM 0 HB VAL A 26 2.500 2.680 -3.819 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.500 1.206 -1.864 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.098 0.931 -2.924 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.462 -0.212 -2.938 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.674 1.818 -2.787 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.677 0.492 -3.975 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.877 2.175 -4.519 1.00 0.62 H new ATOM 417 N LYS A 27 0.198 1.842 -5.593 1.00 0.40 N ATOM 418 CA LYS A 27 -1.201 1.694 -5.853 1.00 0.41 C ATOM 419 C LYS A 27 -1.454 1.043 -7.170 1.00 0.38 C ATOM 420 O LYS A 27 -2.330 0.187 -7.275 1.00 0.42 O ATOM 421 CB LYS A 27 -2.000 3.004 -5.740 1.00 0.51 C ATOM 422 CG LYS A 27 -2.366 3.393 -4.306 1.00 0.76 C ATOM 423 CD LYS A 27 -3.133 4.707 -4.139 1.00 0.82 C ATOM 424 CE LYS A 27 -2.364 5.947 -4.601 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.057 7.160 -4.114 1.00 1.11 N ATOM 0 H LYS A 27 0.471 2.811 -5.430 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.565 1.040 -5.060 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.419 3.811 -6.186 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.915 2.910 -6.324 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.964 2.590 -3.875 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.447 3.456 -3.723 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.066 4.643 -4.698 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.398 4.829 -3.089 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.343 5.919 -4.220 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.298 5.964 -5.689 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -2.675 7.997 -4.600 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.075 7.080 -4.310 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -2.908 7.257 -3.089 1.00 1.11 H new ATOM 439 N ALA A 28 -0.696 1.380 -8.229 1.00 0.39 N ATOM 440 CA ALA A 28 -0.662 0.666 -9.467 1.00 0.39 C ATOM 441 C ALA A 28 -0.446 -0.808 -9.483 1.00 0.36 C ATOM 442 O ALA A 28 -1.062 -1.563 -10.234 1.00 0.42 O ATOM 443 CB ALA A 28 0.197 1.310 -10.568 1.00 0.51 C ATOM 0 H ALA A 28 -0.077 2.190 -8.221 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.724 0.777 -9.685 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.158 0.694 -11.467 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.187 2.305 -10.793 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.229 1.388 -10.226 1.00 0.51 H new ATOM 449 N LYS A 29 0.437 -1.322 -8.608 1.00 0.39 N ATOM 450 CA LYS A 29 0.719 -2.715 -8.448 1.00 0.43 C ATOM 451 C LYS A 29 -0.330 -3.499 -7.737 1.00 0.44 C ATOM 452 O LYS A 29 -0.470 -4.711 -7.888 1.00 0.54 O ATOM 453 CB LYS A 29 2.050 -2.969 -7.720 1.00 0.54 C ATOM 454 CG LYS A 29 3.268 -2.372 -8.426 1.00 0.65 C ATOM 455 CD LYS A 29 4.422 -2.146 -7.446 1.00 1.08 C ATOM 456 CE LYS A 29 5.525 -1.287 -8.067 1.00 1.24 C ATOM 457 NZ LYS A 29 6.117 -2.016 -9.210 1.00 1.44 N ATOM 0 H LYS A 29 0.983 -0.734 -7.979 1.00 0.39 H new ATOM 0 HA LYS A 29 0.763 -3.063 -9.480 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.987 -2.555 -6.714 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.195 -4.044 -7.614 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.592 -3.039 -9.225 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.993 -1.426 -8.893 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.046 -1.661 -6.545 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.836 -3.107 -7.142 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.117 -0.333 -8.400 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.292 -1.064 -7.325 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.983 -1.530 -9.521 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.350 -2.987 -8.919 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.435 -2.044 -9.995 1.00 1.44 H new ATOM 471 N ILE A 30 -1.159 -2.851 -6.900 1.00 0.41 N ATOM 472 CA ILE A 30 -2.269 -3.356 -6.153 1.00 0.44 C ATOM 473 C ILE A 30 -3.397 -3.469 -7.119 1.00 0.45 C ATOM 474 O ILE A 30 -4.176 -4.420 -7.085 1.00 0.56 O ATOM 475 CB ILE A 30 -2.644 -2.606 -4.910 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.436 -2.502 -3.963 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.853 -3.218 -4.183 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.634 -1.447 -2.875 1.00 1.32 C ATOM 0 H ILE A 30 -1.033 -1.853 -6.729 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.983 -4.319 -5.730 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.944 -1.606 -5.222 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.260 -3.471 -3.497 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.545 -2.260 -4.542 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.076 -2.632 -3.292 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.718 -3.213 -4.847 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.623 -4.244 -3.895 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.753 -1.415 -2.235 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.783 -0.471 -3.337 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.508 -1.702 -2.276 1.00 1.32 H new ATOM 490 N GLN A 31 -3.513 -2.543 -8.089 1.00 0.41 N ATOM 491 CA GLN A 31 -4.559 -2.540 -9.064 1.00 0.48 C ATOM 492 C GLN A 31 -4.342 -3.570 -10.117 1.00 0.52 C ATOM 493 O GLN A 31 -5.267 -4.230 -10.589 1.00 0.66 O ATOM 494 CB GLN A 31 -4.691 -1.167 -9.747 1.00 0.52 C ATOM 495 CG GLN A 31 -5.946 -0.964 -10.598 1.00 0.70 C ATOM 496 CD GLN A 31 -5.869 0.311 -11.425 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.960 1.136 -11.500 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.966 0.448 -12.218 1.00 1.43 N ATOM 0 H GLN A 31 -2.856 -1.770 -8.198 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.476 -2.769 -8.521 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.668 -0.396 -8.977 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.817 -1.012 -10.380 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.078 -1.819 -11.261 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.822 -0.925 -9.950 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.724 -0.232 -12.162 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.030 1.231 -12.869 1.00 1.43 H new ATOM 507 N ASP A 32 -3.062 -3.764 -10.482 1.00 0.50 N ATOM 508 CA ASP A 32 -2.529 -4.744 -11.378 1.00 0.60 C ATOM 509 C ASP A 32 -2.944 -6.095 -10.907 1.00 0.65 C ATOM 510 O ASP A 32 -3.364 -6.939 -11.697 1.00 0.81 O ATOM 511 CB ASP A 32 -1.004 -4.553 -11.348 1.00 0.67 C ATOM 512 CG ASP A 32 -0.443 -5.220 -12.596 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.588 -4.599 -13.682 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.270 -6.245 -12.428 1.00 1.55 O ATOM 0 H ASP A 32 -2.323 -3.169 -10.107 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.892 -4.640 -12.401 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.749 -3.493 -11.330 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.578 -4.998 -10.449 1.00 0.67 H new ATOM 519 N LYS A 33 -2.792 -6.428 -9.613 1.00 0.62 N ATOM 520 CA LYS A 33 -3.112 -7.705 -9.053 1.00 0.73 C ATOM 521 C LYS A 33 -4.525 -7.845 -8.603 1.00 0.69 C ATOM 522 O LYS A 33 -5.234 -8.706 -9.124 1.00 0.83 O ATOM 523 CB LYS A 33 -2.142 -7.983 -7.892 1.00 0.85 C ATOM 524 CG LYS A 33 -2.232 -9.291 -7.103 1.00 1.31 C ATOM 525 CD LYS A 33 -1.969 -10.628 -7.798 1.00 1.71 C ATOM 526 CE LYS A 33 -0.579 -10.832 -8.403 1.00 2.26 C ATOM 527 NZ LYS A 33 0.410 -11.374 -7.444 1.00 2.62 N ATOM 0 H LYS A 33 -2.427 -5.773 -8.922 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.999 -8.443 -9.847 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.131 -7.919 -8.295 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.253 -7.168 -7.177 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.531 -9.216 -6.271 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -3.233 -9.341 -6.673 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -2.145 -11.426 -7.077 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -2.706 -10.748 -8.592 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.658 -11.510 -9.253 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -0.216 -9.879 -8.787 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.328 -11.487 -7.919 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.513 -10.718 -6.643 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.085 -12.298 -7.095 1.00 2.62 H new ATOM 541 N GLU A 34 -4.985 -7.003 -7.661 1.00 0.63 N ATOM 542 CA GLU A 34 -6.257 -7.116 -7.016 1.00 0.67 C ATOM 543 C GLU A 34 -7.389 -6.464 -7.732 1.00 0.69 C ATOM 544 O GLU A 34 -8.541 -6.866 -7.576 1.00 0.95 O ATOM 545 CB GLU A 34 -6.264 -6.515 -5.600 1.00 0.73 C ATOM 546 CG GLU A 34 -5.406 -7.341 -4.639 1.00 0.83 C ATOM 547 CD GLU A 34 -5.986 -8.703 -4.282 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.173 -8.780 -3.865 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.301 -9.740 -4.490 1.00 1.37 O ATOM 0 H GLU A 34 -4.443 -6.204 -7.333 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.405 -8.196 -7.003 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.891 -5.492 -5.636 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.287 -6.468 -5.228 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.422 -7.485 -5.084 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.260 -6.771 -3.721 1.00 0.83 H new ATOM 556 N GLY A 35 -7.120 -5.440 -8.561 1.00 0.63 N ATOM 557 CA GLY A 35 -8.180 -4.857 -9.326 1.00 0.68 C ATOM 558 C GLY A 35 -8.918 -3.794 -8.589 1.00 0.76 C ATOM 559 O GLY A 35 -10.105 -3.559 -8.811 1.00 1.12 O ATOM 0 H GLY A 35 -6.199 -5.025 -8.701 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.769 -4.436 -10.243 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.880 -5.639 -9.620 1.00 0.68 H new ATOM 563 N ILE A 36 -8.314 -3.093 -7.613 1.00 0.70 N ATOM 564 CA ILE A 36 -8.896 -2.087 -6.780 1.00 0.76 C ATOM 565 C ILE A 36 -8.613 -0.734 -7.337 1.00 0.71 C ATOM 566 O ILE A 36 -7.407 -0.497 -7.361 1.00 0.73 O ATOM 567 CB ILE A 36 -8.402 -2.149 -5.365 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.492 -3.525 -4.683 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.191 -1.135 -4.518 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.555 -3.534 -3.477 1.00 1.16 C ATOM 0 H ILE A 36 -7.331 -3.245 -7.389 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.969 -2.276 -6.765 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.338 -1.920 -5.425 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.516 -3.725 -4.368 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.215 -4.313 -5.383 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.840 -1.171 -3.487 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.040 -0.132 -4.917 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.252 -1.382 -4.549 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.608 -4.504 -2.982 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.533 -3.351 -3.809 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.855 -2.753 -2.778 1.00 1.16 H new ATOM 582 N PRO A 37 -9.480 0.122 -7.790 1.00 0.75 N ATOM 583 CA PRO A 37 -8.929 1.337 -8.316 1.00 0.79 C ATOM 584 C PRO A 37 -8.363 2.268 -7.299 1.00 0.75 C ATOM 585 O PRO A 37 -8.756 2.144 -6.141 1.00 0.75 O ATOM 586 CB PRO A 37 -10.148 1.950 -9.002 1.00 0.95 C ATOM 587 CG PRO A 37 -11.406 1.446 -8.276 1.00 1.02 C ATOM 588 CD PRO A 37 -10.933 0.052 -7.835 1.00 0.85 C ATOM 0 HA PRO A 37 -8.070 1.146 -8.958 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.098 3.038 -8.967 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.176 1.666 -10.054 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.679 2.078 -7.431 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.274 1.401 -8.933 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.342 -0.209 -6.859 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.266 -0.714 -8.536 1.00 0.85 H new ATOM 596 N PRO A 38 -7.589 3.231 -7.705 1.00 0.81 N ATOM 597 CA PRO A 38 -6.781 3.968 -6.777 1.00 0.85 C ATOM 598 C PRO A 38 -7.503 4.795 -5.770 1.00 0.89 C ATOM 599 O PRO A 38 -6.994 4.843 -4.652 1.00 0.99 O ATOM 600 CB PRO A 38 -5.943 4.948 -7.593 1.00 1.01 C ATOM 601 CG PRO A 38 -5.636 4.106 -8.843 1.00 1.25 C ATOM 602 CD PRO A 38 -6.991 3.404 -9.020 1.00 0.98 C ATOM 0 HA PRO A 38 -6.229 3.212 -6.218 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.492 5.858 -7.834 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.037 5.252 -7.068 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.367 4.718 -9.704 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.818 3.403 -8.683 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.645 3.996 -9.660 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.858 2.438 -9.507 1.00 0.98 H new ATOM 610 N ASP A 39 -8.661 5.382 -6.126 1.00 0.96 N ATOM 611 CA ASP A 39 -9.661 6.075 -5.375 1.00 1.11 C ATOM 612 C ASP A 39 -10.088 5.433 -4.100 1.00 1.00 C ATOM 613 O ASP A 39 -10.473 6.187 -3.207 1.00 1.14 O ATOM 614 CB ASP A 39 -10.929 6.443 -6.165 1.00 1.39 C ATOM 615 CG ASP A 39 -10.579 7.328 -7.353 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.886 6.832 -8.281 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.985 8.519 -7.411 1.00 2.23 O ATOM 0 H ASP A 39 -8.933 5.361 -7.109 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.109 6.982 -5.129 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.424 5.536 -6.513 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.633 6.960 -5.513 1.00 1.39 H new ATOM 622 N GLN A 40 -10.219 4.096 -4.040 1.00 0.87 N ATOM 623 CA GLN A 40 -10.681 3.313 -2.936 1.00 0.84 C ATOM 624 C GLN A 40 -9.586 2.742 -2.102 1.00 0.67 C ATOM 625 O GLN A 40 -9.788 2.040 -1.113 1.00 0.80 O ATOM 626 CB GLN A 40 -11.507 2.187 -3.581 1.00 0.95 C ATOM 627 CG GLN A 40 -12.734 2.709 -4.332 1.00 1.32 C ATOM 628 CD GLN A 40 -13.813 1.649 -4.504 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.861 1.042 -5.573 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.677 1.380 -3.489 1.00 2.02 N ATOM 0 H GLN A 40 -9.979 3.511 -4.840 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.251 3.934 -2.245 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.875 1.628 -4.271 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.829 1.490 -2.808 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.150 3.560 -3.793 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.427 3.072 -5.313 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.613 1.900 -2.614 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.389 0.658 -3.603 1.00 2.02 H new ATOM 639 N GLN A 41 -8.303 3.022 -2.394 1.00 0.56 N ATOM 640 CA GLN A 41 -7.174 2.421 -1.755 1.00 0.51 C ATOM 641 C GLN A 41 -6.846 3.234 -0.550 1.00 0.49 C ATOM 642 O GLN A 41 -6.200 4.278 -0.625 1.00 0.65 O ATOM 643 CB GLN A 41 -6.001 2.145 -2.710 1.00 0.67 C ATOM 644 CG GLN A 41 -6.329 1.038 -3.715 1.00 0.69 C ATOM 645 CD GLN A 41 -5.057 0.550 -4.393 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.125 0.174 -3.685 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.056 0.438 -5.749 1.00 0.61 N ATOM 0 H GLN A 41 -8.041 3.700 -3.110 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.422 1.413 -1.423 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.748 3.059 -3.247 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.122 1.861 -2.132 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.820 0.208 -3.206 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.028 1.411 -4.463 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.857 0.767 -6.288 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.254 0.025 -6.226 1.00 0.61 H new ATOM 656 N ARG A 42 -7.258 2.823 0.662 1.00 0.47 N ATOM 657 CA ARG A 42 -6.657 3.381 1.835 1.00 0.55 C ATOM 658 C ARG A 42 -5.486 2.557 2.245 1.00 0.46 C ATOM 659 O ARG A 42 -5.696 1.483 2.805 1.00 0.52 O ATOM 660 CB ARG A 42 -7.678 3.572 2.969 1.00 0.73 C ATOM 661 CG ARG A 42 -7.256 4.517 4.095 1.00 1.04 C ATOM 662 CD ARG A 42 -8.210 4.456 5.289 1.00 1.28 C ATOM 663 NE ARG A 42 -8.219 5.745 6.037 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.246 6.178 6.825 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.458 5.563 6.949 1.00 2.78 N ATOM 666 NH2 ARG A 42 -8.996 7.345 7.488 1.00 2.34 N ATOM 0 H ARG A 42 -7.984 2.127 0.830 1.00 0.47 H new ATOM 0 HA ARG A 42 -6.294 4.381 1.599 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.607 3.945 2.537 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.897 2.596 3.403 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.249 4.261 4.424 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.217 5.538 3.715 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.217 4.227 4.942 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.911 3.647 5.956 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.399 6.346 5.954 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.652 4.708 6.427 1.00 2.78 H new ATOM 0 HH12 ARG A 42 -11.170 5.958 7.563 1.00 2.78 H new ATOM 0 HH21 ARG A 42 -8.099 7.816 7.370 1.00 2.34 H new ATOM 0 HH22 ARG A 42 -9.706 7.746 8.101 1.00 2.34 H new ATOM 680 N LEU A 43 -4.264 3.107 2.129 1.00 0.46 N ATOM 681 CA LEU A 43 -3.031 2.522 2.558 1.00 0.42 C ATOM 682 C LEU A 43 -2.559 3.194 3.801 1.00 0.43 C ATOM 683 O LEU A 43 -2.383 4.410 3.856 1.00 0.55 O ATOM 684 CB LEU A 43 -1.951 2.635 1.470 1.00 0.55 C ATOM 685 CG LEU A 43 -2.181 1.538 0.416 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.353 1.953 -0.811 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.783 0.126 0.878 1.00 1.12 C ATOM 0 H LEU A 43 -4.129 4.025 1.706 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.209 1.465 2.754 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.989 3.619 1.003 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.960 2.530 1.912 1.00 0.55 H new ATOM 0 HG LEU A 43 -3.248 1.465 0.205 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.474 1.211 -1.600 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.696 2.923 -1.170 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.301 2.020 -0.534 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.977 -0.587 0.077 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.722 0.111 1.129 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.367 -0.148 1.756 1.00 1.12 H new ATOM 699 N ILE A 44 -2.219 2.388 4.824 1.00 0.42 N ATOM 700 CA ILE A 44 -1.688 2.770 6.096 1.00 0.46 C ATOM 701 C ILE A 44 -0.396 2.061 6.319 1.00 0.42 C ATOM 702 O ILE A 44 -0.330 0.850 6.117 1.00 0.53 O ATOM 703 CB ILE A 44 -2.625 2.581 7.252 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.039 3.130 7.002 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.037 3.158 8.551 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.055 2.073 6.567 1.00 1.27 C ATOM 0 H ILE A 44 -2.327 1.376 4.751 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.528 3.847 6.058 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.735 1.502 7.364 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.397 3.608 7.914 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.986 3.904 6.236 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.741 3.004 9.369 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.098 2.654 8.781 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.854 4.225 8.425 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.026 2.544 6.412 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.723 1.610 5.637 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.141 1.311 7.341 1.00 1.27 H new ATOM 718 N PHE A 45 0.652 2.821 6.684 1.00 0.42 N ATOM 719 CA PHE A 45 1.926 2.331 7.112 1.00 0.46 C ATOM 720 C PHE A 45 2.121 2.932 8.461 1.00 0.68 C ATOM 721 O PHE A 45 2.177 4.141 8.684 1.00 1.50 O ATOM 722 CB PHE A 45 3.075 2.611 6.129 1.00 0.56 C ATOM 723 CG PHE A 45 4.344 2.118 6.734 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.596 0.779 6.917 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.356 3.028 6.927 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.844 0.285 7.215 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.589 2.562 7.319 1.00 1.33 C ATOM 728 CZ PHE A 45 6.844 1.213 7.383 1.00 1.02 C ATOM 0 H PHE A 45 0.606 3.840 6.680 1.00 0.42 H new ATOM 0 HA PHE A 45 1.941 1.242 7.151 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.890 2.112 5.178 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.144 3.679 5.921 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.776 0.083 6.822 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.187 4.084 6.774 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.029 -0.775 7.312 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.367 3.265 7.580 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.853 0.875 7.569 1.00 1.02 H new ATOM 738 N ALA A 46 2.130 1.971 9.401 1.00 0.81 N ATOM 739 CA ALA A 46 2.110 2.252 10.803 1.00 0.96 C ATOM 740 C ALA A 46 0.931 3.069 11.205 1.00 0.97 C ATOM 741 O ALA A 46 -0.210 2.608 11.206 1.00 1.21 O ATOM 742 CB ALA A 46 3.395 2.924 11.315 1.00 1.20 C ATOM 0 H ALA A 46 2.152 0.975 9.182 1.00 0.81 H new ATOM 0 HA ALA A 46 2.038 1.271 11.273 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.308 3.107 12.386 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.247 2.271 11.127 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.542 3.871 10.796 1.00 1.20 H new ATOM 748 N GLY A 47 1.181 4.334 11.586 1.00 0.99 N ATOM 749 CA GLY A 47 0.212 5.316 11.963 1.00 1.10 C ATOM 750 C GLY A 47 0.005 6.390 10.951 1.00 1.03 C ATOM 751 O GLY A 47 -0.727 7.351 11.181 1.00 1.30 O ATOM 0 H GLY A 47 2.133 4.697 11.634 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.740 4.818 12.148 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.521 5.773 12.903 1.00 1.10 H new ATOM 755 N LYS A 48 0.662 6.284 9.782 1.00 0.98 N ATOM 756 CA LYS A 48 0.594 7.210 8.695 1.00 1.05 C ATOM 757 C LYS A 48 -0.203 6.742 7.526 1.00 0.84 C ATOM 758 O LYS A 48 0.105 5.668 7.012 1.00 0.81 O ATOM 759 CB LYS A 48 1.982 7.696 8.243 1.00 1.42 C ATOM 760 CG LYS A 48 2.785 8.322 9.385 1.00 1.61 C ATOM 761 CD LYS A 48 3.972 9.089 8.800 1.00 1.87 C ATOM 762 CE LYS A 48 5.190 9.097 9.727 1.00 2.22 C ATOM 763 NZ LYS A 48 4.783 9.639 11.043 1.00 2.55 N ATOM 0 H LYS A 48 1.282 5.498 9.584 1.00 0.98 H new ATOM 0 HA LYS A 48 0.050 8.057 9.112 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.540 6.856 7.829 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.865 8.427 7.443 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.152 8.994 9.965 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.137 7.547 10.066 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.251 8.644 7.845 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.670 10.116 8.596 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.585 8.087 9.840 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.987 9.705 9.298 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.630 9.888 11.593 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.199 10.488 10.903 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.234 8.922 11.559 1.00 2.55 H new ATOM 777 N GLN A 49 -1.160 7.540 7.020 1.00 0.84 N ATOM 778 CA GLN A 49 -1.887 7.334 5.805 1.00 0.80 C ATOM 779 C GLN A 49 -1.072 7.826 4.659 1.00 0.72 C ATOM 780 O GLN A 49 -0.663 8.986 4.673 1.00 0.83 O ATOM 781 CB GLN A 49 -3.286 7.972 5.770 1.00 1.03 C ATOM 782 CG GLN A 49 -4.136 7.618 6.993 1.00 1.67 C ATOM 783 CD GLN A 49 -5.379 8.494 6.916 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.530 8.114 6.714 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.128 9.818 7.102 1.00 2.48 N ATOM 0 H GLN A 49 -1.447 8.394 7.498 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.063 6.260 5.736 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.184 9.055 5.707 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.805 7.648 4.868 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.404 6.561 6.988 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.586 7.803 7.916 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.174 10.138 7.270 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.894 10.491 7.074 1.00 2.48 H new ATOM 794 N LEU A 50 -0.827 7.010 3.619 1.00 0.69 N ATOM 795 CA LEU A 50 0.032 7.282 2.508 1.00 0.66 C ATOM 796 C LEU A 50 -0.671 8.161 1.531 1.00 0.72 C ATOM 797 O LEU A 50 -1.813 7.915 1.150 1.00 0.90 O ATOM 798 CB LEU A 50 0.650 6.028 1.869 1.00 0.65 C ATOM 799 CG LEU A 50 1.146 5.078 2.973 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.752 3.781 2.412 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.187 5.642 3.954 1.00 0.74 C ATOM 0 H LEU A 50 -1.263 6.090 3.550 1.00 0.69 H new ATOM 0 HA LEU A 50 0.899 7.821 2.889 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.088 5.524 1.246 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.478 6.309 1.218 1.00 0.65 H new ATOM 0 HG LEU A 50 0.221 4.904 3.522 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.085 3.149 3.235 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.999 3.250 1.829 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.602 4.023 1.774 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.454 4.876 4.682 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.078 5.946 3.404 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.768 6.504 4.473 1.00 0.74 H new ATOM 813 N GLU A 51 -0.004 9.261 1.140 1.00 0.70 N ATOM 814 CA GLU A 51 -0.590 10.140 0.176 1.00 0.76 C ATOM 815 C GLU A 51 0.176 10.113 -1.102 1.00 0.77 C ATOM 816 O GLU A 51 1.212 9.480 -1.294 1.00 1.23 O ATOM 817 CB GLU A 51 -0.537 11.584 0.702 1.00 0.88 C ATOM 818 CG GLU A 51 0.818 12.162 1.117 1.00 1.35 C ATOM 819 CD GLU A 51 0.715 13.406 1.987 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.189 13.296 3.126 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.206 14.500 1.599 1.00 1.94 O ATOM 0 H GLU A 51 0.917 9.538 1.480 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.616 9.812 0.006 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.952 12.233 -0.069 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -1.202 11.647 1.563 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.378 11.398 1.656 1.00 1.35 H new ATOM 0 HG3 GLU A 51 1.389 12.403 0.221 1.00 1.35 H new ATOM 828 N ASP A 52 -0.331 10.905 -2.064 1.00 0.66 N ATOM 829 CA ASP A 52 0.241 10.795 -3.370 1.00 0.65 C ATOM 830 C ASP A 52 1.527 11.538 -3.501 1.00 0.60 C ATOM 831 O ASP A 52 1.783 12.550 -2.852 1.00 0.62 O ATOM 832 CB ASP A 52 -0.669 11.466 -4.414 1.00 0.81 C ATOM 833 CG ASP A 52 -1.945 10.635 -4.433 1.00 0.95 C ATOM 834 OD1 ASP A 52 -1.962 9.425 -4.783 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.999 11.277 -4.180 1.00 1.44 O ATOM 0 H ASP A 52 -1.088 11.580 -1.953 1.00 0.66 H new ATOM 0 HA ASP A 52 0.377 9.725 -3.526 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.879 12.501 -4.145 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.196 11.481 -5.396 1.00 0.81 H new ATOM 840 N GLY A 53 2.421 11.081 -4.397 1.00 0.68 N ATOM 841 CA GLY A 53 3.614 11.759 -4.799 1.00 0.73 C ATOM 842 C GLY A 53 4.785 11.666 -3.881 1.00 0.72 C ATOM 843 O GLY A 53 5.863 12.117 -4.265 1.00 0.97 O ATOM 0 H GLY A 53 2.303 10.184 -4.868 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.914 11.370 -5.772 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.375 12.813 -4.938 1.00 0.73 H new ATOM 847 N ARG A 54 4.590 10.957 -2.755 1.00 0.64 N ATOM 848 CA ARG A 54 5.629 10.566 -1.853 1.00 0.63 C ATOM 849 C ARG A 54 6.224 9.266 -2.274 1.00 0.59 C ATOM 850 O ARG A 54 5.582 8.472 -2.959 1.00 0.62 O ATOM 851 CB ARG A 54 5.067 10.381 -0.433 1.00 0.69 C ATOM 852 CG ARG A 54 4.512 11.677 0.161 1.00 0.82 C ATOM 853 CD ARG A 54 5.499 12.841 0.270 1.00 1.18 C ATOM 854 NE ARG A 54 4.722 14.026 0.730 1.00 1.50 N ATOM 855 CZ ARG A 54 5.157 14.902 1.682 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.307 14.816 2.412 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.411 16.009 1.964 1.00 2.49 N ATOM 0 H ARG A 54 3.666 10.642 -2.460 1.00 0.64 H new ATOM 0 HA ARG A 54 6.385 11.351 -1.864 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.277 9.630 -0.455 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.854 9.997 0.217 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.667 11.999 -0.447 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.125 11.460 1.157 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.297 12.606 0.974 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.971 13.039 -0.693 1.00 1.18 H new ATOM 0 HE ARG A 54 3.809 14.193 0.307 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.944 14.033 2.269 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.529 15.535 3.100 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.537 16.176 1.465 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.727 16.670 2.674 1.00 2.49 H new ATOM 871 N THR A 55 7.451 8.942 -1.829 1.00 0.63 N ATOM 872 CA THR A 55 8.091 7.680 -2.036 1.00 0.61 C ATOM 873 C THR A 55 7.997 6.793 -0.842 1.00 0.59 C ATOM 874 O THR A 55 7.691 7.165 0.289 1.00 0.64 O ATOM 875 CB THR A 55 9.486 7.693 -2.587 1.00 0.68 C ATOM 876 OG1 THR A 55 10.415 8.310 -1.709 1.00 0.75 O ATOM 877 CG2 THR A 55 9.551 8.351 -3.976 1.00 0.76 C ATOM 0 H THR A 55 8.027 9.595 -1.297 1.00 0.63 H new ATOM 0 HA THR A 55 7.500 7.263 -2.851 1.00 0.61 H new ATOM 0 HB THR A 55 9.772 6.646 -2.689 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.139 9.235 -1.538 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.580 8.339 -4.337 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.916 7.800 -4.670 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.203 9.382 -3.907 1.00 0.76 H new ATOM 885 N LEU A 56 8.329 5.498 -0.992 1.00 0.58 N ATOM 886 CA LEU A 56 8.599 4.597 0.084 1.00 0.59 C ATOM 887 C LEU A 56 9.805 4.995 0.863 1.00 0.64 C ATOM 888 O LEU A 56 9.869 4.851 2.082 1.00 0.70 O ATOM 889 CB LEU A 56 8.798 3.225 -0.583 1.00 0.60 C ATOM 890 CG LEU A 56 7.564 2.582 -1.238 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.981 1.251 -1.889 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.423 2.191 -0.285 1.00 1.03 C ATOM 0 H LEU A 56 8.413 5.059 -1.909 1.00 0.58 H new ATOM 0 HA LEU A 56 7.783 4.591 0.806 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.571 3.327 -1.345 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.181 2.535 0.169 1.00 0.60 H new ATOM 0 HG LEU A 56 7.201 3.350 -1.921 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.113 0.787 -2.356 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.743 1.439 -2.645 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.383 0.583 -1.127 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.607 1.748 -0.856 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.789 1.469 0.444 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.062 3.079 0.234 1.00 1.03 H new ATOM 904 N SER A 57 10.779 5.653 0.208 1.00 0.68 N ATOM 905 CA SER A 57 11.979 6.121 0.830 1.00 0.75 C ATOM 906 C SER A 57 11.719 7.240 1.780 1.00 0.76 C ATOM 907 O SER A 57 12.346 7.365 2.832 1.00 0.84 O ATOM 908 CB SER A 57 12.945 6.554 -0.286 1.00 0.84 C ATOM 909 OG SER A 57 14.263 6.744 0.207 1.00 1.19 O ATOM 0 H SER A 57 10.729 5.866 -0.788 1.00 0.68 H new ATOM 0 HA SER A 57 12.417 5.320 1.425 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.955 5.799 -1.072 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.588 7.480 -0.738 1.00 0.84 H new ATOM 0 HG SER A 57 14.851 7.017 -0.528 1.00 1.19 H new ATOM 915 N ASP A 58 10.683 8.040 1.474 1.00 0.75 N ATOM 916 CA ASP A 58 10.212 9.053 2.366 1.00 0.78 C ATOM 917 C ASP A 58 9.682 8.549 3.664 1.00 0.77 C ATOM 918 O ASP A 58 10.081 8.977 4.746 1.00 0.86 O ATOM 919 CB ASP A 58 9.221 10.035 1.719 1.00 0.83 C ATOM 920 CG ASP A 58 9.782 10.751 0.499 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.538 11.750 0.623 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.305 10.474 -0.635 1.00 1.86 O ATOM 0 H ASP A 58 10.165 7.984 0.597 1.00 0.75 H new ATOM 0 HA ASP A 58 11.121 9.607 2.601 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.321 9.492 1.430 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.922 10.777 2.459 1.00 0.83 H new ATOM 927 N TYR A 59 8.773 7.559 3.630 1.00 0.72 N ATOM 928 CA TYR A 59 8.189 6.993 4.806 1.00 0.73 C ATOM 929 C TYR A 59 9.076 5.969 5.426 1.00 0.76 C ATOM 930 O TYR A 59 8.563 5.271 6.300 1.00 0.89 O ATOM 931 CB TYR A 59 6.832 6.365 4.445 1.00 0.73 C ATOM 932 CG TYR A 59 5.913 7.431 3.956 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.367 8.336 4.837 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.318 7.281 2.725 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.291 9.122 4.502 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.208 8.009 2.370 1.00 0.70 C ATOM 937 CZ TYR A 59 3.770 8.983 3.237 1.00 0.74 C ATOM 938 OH TYR A 59 2.526 9.604 2.998 1.00 0.86 O ATOM 0 H TYR A 59 8.435 7.141 2.763 1.00 0.72 H new ATOM 0 HA TYR A 59 8.050 7.790 5.536 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.964 5.602 3.678 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.403 5.870 5.317 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.798 8.432 5.823 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.733 6.575 2.021 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.870 9.824 5.207 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.695 7.822 1.438 1.00 0.70 H new ATOM 0 HH TYR A 59 2.562 10.535 3.301 1.00 0.86 H new ATOM 948 N ASN A 60 10.359 5.803 5.062 1.00 0.74 N ATOM 949 CA ASN A 60 11.237 4.847 5.663 1.00 0.79 C ATOM 950 C ASN A 60 10.764 3.435 5.609 1.00 0.75 C ATOM 951 O ASN A 60 10.717 2.659 6.563 1.00 0.86 O ATOM 952 CB ASN A 60 11.629 5.093 7.129 1.00 0.95 C ATOM 953 CG ASN A 60 12.053 6.489 7.562 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.453 7.073 8.462 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.066 7.110 6.899 1.00 1.83 N ATOM 0 H ASN A 60 10.801 6.352 4.325 1.00 0.74 H new ATOM 0 HA ASN A 60 12.106 5.000 5.024 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.781 4.801 7.748 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.447 4.413 7.368 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.330 8.063 7.148 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.562 6.622 6.153 1.00 1.83 H new ATOM 962 N ILE A 61 10.307 3.095 4.391 1.00 0.67 N ATOM 963 CA ILE A 61 9.832 1.771 4.132 1.00 0.65 C ATOM 964 C ILE A 61 10.942 0.918 3.622 1.00 0.66 C ATOM 965 O ILE A 61 11.625 1.319 2.682 1.00 0.75 O ATOM 966 CB ILE A 61 8.618 1.745 3.250 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.460 2.516 3.906 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.181 0.345 2.786 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.146 2.540 3.125 1.00 0.82 C ATOM 0 H ILE A 61 10.266 3.729 3.593 1.00 0.67 H new ATOM 0 HA ILE A 61 9.493 1.347 5.077 1.00 0.65 H new ATOM 0 HB ILE A 61 8.912 2.250 2.330 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.269 2.081 4.887 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.781 3.545 4.071 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.297 0.431 2.155 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.988 -0.119 2.219 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.948 -0.270 3.655 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.402 3.110 3.681 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.309 3.006 2.153 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.789 1.520 2.983 1.00 0.82 H new ATOM 981 N GLN A 62 11.155 -0.178 4.372 1.00 0.67 N ATOM 982 CA GLN A 62 12.201 -1.145 4.251 1.00 0.70 C ATOM 983 C GLN A 62 11.639 -2.422 3.727 1.00 0.62 C ATOM 984 O GLN A 62 10.432 -2.620 3.598 1.00 0.64 O ATOM 985 CB GLN A 62 12.986 -1.243 5.570 1.00 0.85 C ATOM 986 CG GLN A 62 12.154 -1.609 6.800 1.00 1.27 C ATOM 987 CD GLN A 62 13.068 -2.098 7.915 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.274 -1.861 7.870 1.00 2.08 O ATOM 989 NE2 GLN A 62 12.512 -2.888 8.873 1.00 2.16 N ATOM 0 H GLN A 62 10.527 -0.408 5.142 1.00 0.67 H new ATOM 0 HA GLN A 62 12.946 -0.841 3.516 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.774 -1.987 5.450 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.476 -0.287 5.754 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.586 -0.742 7.137 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.431 -2.384 6.544 1.00 1.27 H new ATOM 0 HE21 GLN A 62 11.506 -3.058 8.873 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.101 -3.310 9.591 1.00 2.16 H new ATOM 998 N LYS A 63 12.572 -3.351 3.449 1.00 0.64 N ATOM 999 CA LYS A 63 12.170 -4.669 3.065 1.00 0.62 C ATOM 1000 C LYS A 63 11.342 -5.403 4.063 1.00 0.59 C ATOM 1001 O LYS A 63 11.477 -5.182 5.264 1.00 0.66 O ATOM 1002 CB LYS A 63 13.425 -5.477 2.691 1.00 0.74 C ATOM 1003 CG LYS A 63 14.275 -5.861 3.904 1.00 0.89 C ATOM 1004 CD LYS A 63 15.517 -6.703 3.608 1.00 1.11 C ATOM 1005 CE LYS A 63 16.671 -5.987 2.901 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.802 -6.907 2.649 1.00 2.12 N ATOM 0 H LYS A 63 13.579 -3.197 3.488 1.00 0.64 H new ATOM 0 HA LYS A 63 11.505 -4.551 2.210 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.123 -6.383 2.165 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.033 -4.894 1.999 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.591 -4.947 4.407 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.646 -6.410 4.605 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.890 -7.105 4.550 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.216 -7.553 2.996 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.320 -5.572 1.956 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.010 -5.149 3.511 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.568 -6.392 2.169 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.151 -7.283 3.553 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.483 -7.693 2.047 1.00 2.12 H new ATOM 1020 N GLU A 64 10.353 -6.184 3.591 1.00 0.57 N ATOM 1021 CA GLU A 64 9.568 -7.034 4.430 1.00 0.58 C ATOM 1022 C GLU A 64 8.530 -6.364 5.263 1.00 0.56 C ATOM 1023 O GLU A 64 7.916 -6.866 6.204 1.00 0.70 O ATOM 1024 CB GLU A 64 10.390 -8.045 5.248 1.00 0.72 C ATOM 1025 CG GLU A 64 9.705 -9.396 5.468 1.00 0.96 C ATOM 1026 CD GLU A 64 10.414 -10.252 6.508 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.583 -10.689 6.336 1.00 1.69 O ATOM 1028 OE2 GLU A 64 9.780 -10.505 7.567 1.00 1.71 O ATOM 0 H GLU A 64 10.094 -6.225 2.605 1.00 0.57 H new ATOM 0 HA GLU A 64 9.001 -7.601 3.692 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.341 -8.213 4.743 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.618 -7.606 6.219 1.00 0.72 H new ATOM 0 HG2 GLU A 64 8.675 -9.229 5.782 1.00 0.96 H new ATOM 0 HG3 GLU A 64 9.667 -9.937 4.523 1.00 0.96 H new ATOM 1035 N SER A 65 8.259 -5.106 4.876 1.00 0.51 N ATOM 1036 CA SER A 65 7.365 -4.233 5.574 1.00 0.51 C ATOM 1037 C SER A 65 5.971 -4.637 5.240 1.00 0.43 C ATOM 1038 O SER A 65 5.605 -4.907 4.097 1.00 0.50 O ATOM 1039 CB SER A 65 7.507 -2.748 5.202 1.00 0.65 C ATOM 1040 OG SER A 65 8.655 -2.036 5.641 1.00 1.04 O ATOM 0 H SER A 65 8.676 -4.680 4.048 1.00 0.51 H new ATOM 0 HA SER A 65 7.608 -4.327 6.632 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.471 -2.676 4.115 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.630 -2.227 5.586 1.00 0.65 H new ATOM 0 HG SER A 65 9.383 -2.159 4.996 1.00 1.04 H new ATOM 1046 N THR A 66 5.012 -4.644 6.184 1.00 0.45 N ATOM 1047 CA THR A 66 3.637 -5.011 6.054 1.00 0.45 C ATOM 1048 C THR A 66 2.676 -3.875 6.145 1.00 0.43 C ATOM 1049 O THR A 66 2.191 -3.444 7.190 1.00 0.58 O ATOM 1050 CB THR A 66 3.116 -6.085 6.963 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.066 -7.131 7.106 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.869 -6.838 6.474 1.00 0.78 C ATOM 0 H THR A 66 5.228 -4.361 7.140 1.00 0.45 H new ATOM 0 HA THR A 66 3.677 -5.415 5.043 1.00 0.45 H new ATOM 0 HB THR A 66 2.891 -5.523 7.869 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.707 -7.820 7.704 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.585 -7.589 7.211 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.048 -6.133 6.339 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.088 -7.327 5.525 1.00 0.78 H new ATOM 1060 N LEU A 67 2.374 -3.305 4.965 1.00 0.38 N ATOM 1061 CA LEU A 67 1.385 -2.290 4.777 1.00 0.38 C ATOM 1062 C LEU A 67 0.004 -2.771 5.055 1.00 0.37 C ATOM 1063 O LEU A 67 -0.391 -3.921 4.871 1.00 0.50 O ATOM 1064 CB LEU A 67 1.620 -1.649 3.399 1.00 0.46 C ATOM 1065 CG LEU A 67 2.880 -0.775 3.269 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.085 -1.687 2.983 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.670 0.303 2.193 1.00 1.31 C ATOM 0 H LEU A 67 2.844 -3.566 4.098 1.00 0.38 H new ATOM 0 HA LEU A 67 1.492 -1.499 5.519 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.675 -2.444 2.655 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.751 -1.039 3.151 1.00 0.46 H new ATOM 0 HG LEU A 67 3.079 -0.242 4.198 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.986 -1.081 2.888 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.208 -2.395 3.803 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.916 -2.233 2.055 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.568 0.915 2.111 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.467 -0.174 1.234 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.826 0.934 2.470 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.930 -1.887 5.454 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.295 -2.146 5.790 1.00 0.37 C ATOM 1081 C HIS A 68 -3.174 -1.664 4.688 1.00 0.35 C ATOM 1082 O HIS A 68 -3.414 -0.460 4.645 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.718 -1.430 7.084 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.863 -1.638 8.299 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.574 -1.160 8.416 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.207 -2.243 9.467 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.168 -1.567 9.648 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.134 -2.153 10.331 1.00 1.51 N ATOM 0 H HIS A 68 -0.704 -0.897 5.549 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.395 -3.221 5.938 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.758 -0.360 6.879 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.732 -1.746 7.328 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.044 -0.621 7.731 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -3.156 -2.713 9.682 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.834 -1.427 10.026 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.699 -2.522 3.794 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.652 -2.141 2.798 1.00 0.38 C ATOM 1098 C LEU A 69 -6.037 -2.335 3.313 1.00 0.41 C ATOM 1099 O LEU A 69 -6.556 -3.443 3.442 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.334 -2.909 1.504 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.340 -2.872 0.341 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.225 -1.480 -0.301 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.168 -4.055 -0.627 1.00 1.14 C ATOM 0 H LEU A 69 -3.453 -3.511 3.764 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.585 -1.079 2.560 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.382 -2.535 1.126 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.182 -3.954 1.772 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.362 -3.009 0.695 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.923 -1.405 -1.135 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.462 -0.717 0.440 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.208 -1.330 -0.664 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.903 -3.979 -1.428 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.164 -4.034 -1.052 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.315 -4.991 -0.088 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.652 -1.165 3.560 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.982 -0.801 3.938 1.00 0.56 C ATOM 1117 C VAL A 70 -8.686 -0.385 2.691 1.00 0.55 C ATOM 1118 O VAL A 70 -8.346 0.507 1.916 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.033 0.165 5.085 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.436 0.625 5.519 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.378 -0.505 6.304 1.00 0.97 C ATOM 0 H VAL A 70 -6.096 -0.314 3.474 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.520 -1.648 4.364 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.517 1.057 4.730 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.349 1.320 6.354 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.931 1.121 4.684 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.024 -0.240 5.827 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.403 0.179 7.152 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.923 -1.415 6.555 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.343 -0.755 6.070 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.874 -1.001 2.556 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.735 -0.622 1.479 1.00 0.84 C ATOM 1133 C LEU A 71 -11.853 0.261 1.915 1.00 0.85 C ATOM 1134 O LEU A 71 -12.745 -0.166 2.648 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.334 -1.956 1.003 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.127 -1.820 -0.308 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.340 -1.277 -1.512 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.811 -3.173 -0.565 1.00 2.78 C ATOM 0 H LEU A 71 -10.230 -1.735 3.168 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.182 -0.067 0.722 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.531 -2.680 0.863 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.989 -2.352 1.779 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.872 -1.034 -0.183 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.996 -1.223 -2.381 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.962 -0.281 -1.280 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.504 -1.941 -1.730 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.386 -3.120 -1.489 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.054 -3.952 -0.653 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.478 -3.407 0.265 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.843 1.494 1.378 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.841 2.498 1.583 1.00 1.10 C ATOM 1152 C ARG A 72 -13.815 2.712 0.476 1.00 1.35 C ATOM 1153 O ARG A 72 -13.583 2.306 -0.662 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.097 3.757 2.057 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.116 4.471 1.124 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.849 5.602 0.403 1.00 1.99 C ATOM 1157 NE ARG A 72 -10.860 6.412 -0.365 1.00 2.54 N ATOM 1158 CZ ARG A 72 -9.874 7.237 0.092 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.674 7.452 1.425 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -8.963 7.854 -0.717 1.00 3.75 N ATOM 0 H ARG A 72 -11.092 1.809 0.763 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.538 2.154 2.347 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.852 4.486 2.351 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.547 3.487 2.958 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.277 4.869 1.694 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -10.705 3.767 0.400 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -12.603 5.193 -0.269 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -12.372 6.231 1.124 1.00 1.99 H new ATOM 0 HE ARG A 72 -10.931 6.339 -1.380 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -10.271 6.990 2.111 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -8.928 8.075 1.735 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -8.996 7.709 -1.726 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -8.249 8.460 -0.312 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.965 3.312 0.830 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.939 3.750 -0.121 1.00 1.93 C ATOM 1176 C LEU A 73 -15.556 5.069 -0.701 1.00 2.13 C ATOM 1177 O LEU A 73 -14.636 5.259 -1.493 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.364 3.717 0.457 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.975 2.306 0.414 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -19.272 2.295 1.240 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -18.312 1.727 -0.970 1.00 3.14 C ATOM 0 H LEU A 73 -15.224 3.497 1.799 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.954 3.042 -0.950 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.345 4.072 1.488 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.998 4.403 -0.104 1.00 2.23 H new ATOM 0 HG LEU A 73 -17.183 1.671 0.812 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.711 1.298 1.214 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.049 2.567 2.272 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.977 3.013 0.820 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.735 0.729 -0.854 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.036 2.372 -1.468 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.404 1.669 -1.571 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.152 6.175 -0.217 1.00 2.32 N ATOM 1194 CA ARG A 74 -15.754 7.496 -0.592 1.00 2.55 C ATOM 1195 C ARG A 74 -14.652 7.991 0.280 1.00 2.58 C ATOM 1196 O ARG A 74 -14.335 7.319 1.261 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.891 8.529 -0.523 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.910 8.514 -1.664 1.00 4.01 C ATOM 1199 CD ARG A 74 -17.349 8.886 -3.039 1.00 4.67 C ATOM 1200 NE ARG A 74 -16.901 10.306 -3.078 1.00 5.36 N ATOM 1201 CZ ARG A 74 -16.506 10.937 -4.222 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -16.461 10.283 -5.419 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -16.052 12.225 -4.221 1.00 6.80 N ATOM 0 H ARG A 74 -16.925 6.150 0.448 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.431 7.403 -1.629 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -17.428 8.380 0.414 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.445 9.522 -0.480 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.350 7.518 -1.725 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -18.717 9.204 -1.419 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -16.511 8.232 -3.281 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -18.111 8.722 -3.801 1.00 4.67 H new ATOM 0 HE ARG A 74 -16.889 10.834 -2.205 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -16.726 9.300 -5.473 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -16.162 10.778 -6.259 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -16.000 12.747 -3.346 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -15.765 12.665 -5.095 1.00 6.80 H new ATOM 1217 N GLY A 75 -14.012 9.111 -0.102 1.00 2.73 N ATOM 1218 CA GLY A 75 -12.798 9.610 0.465 1.00 3.22 C ATOM 1219 C GLY A 75 -12.524 10.912 -0.205 1.00 3.16 C ATOM 1220 O GLY A 75 -13.082 11.259 -1.245 1.00 3.57 O ATOM 0 H GLY A 75 -14.365 9.704 -0.853 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -12.898 9.741 1.542 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -11.978 8.910 0.304 1.00 3.22 H new ATOM 1224 N GLY A 76 -11.590 11.719 0.332 1.00 3.14 N ATOM 1225 CA GLY A 76 -11.144 12.991 -0.145 1.00 3.37 C ATOM 1226 C GLY A 76 -10.634 13.749 1.072 1.00 3.48 C ATOM 1227 O GLY A 76 -9.456 14.174 0.935 1.00 3.87 O ATOM 1228 OXT GLY A 76 -11.388 13.897 2.070 1.00 3.70 O ATOM 0 H GLY A 76 -11.100 11.450 1.186 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -10.355 12.873 -0.888 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -11.958 13.532 -0.627 1.00 3.37 H new TER 1232 GLY A 76