USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 114:sc= 0.0569 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0578 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 145:sc= 0.524 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.488 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.34 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.23) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0.07!) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.56 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.707) USER MOD Single : A 31 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 144:sc= 0.0129 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 0.316 K(o=0.32,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.016) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.317 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 1.2 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=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.335 -7.134 -4.836 1.00 9.67 N ATOM 2 CA MET A 1 11.373 -7.548 -3.392 1.00 10.38 C ATOM 3 C MET A 1 10.021 -7.837 -2.805 1.00 9.62 C ATOM 4 O MET A 1 9.053 -7.203 -3.189 1.00 9.62 O ATOM 5 CB MET A 1 12.167 -6.568 -2.514 1.00 13.77 C ATOM 6 CG MET A 1 11.482 -5.202 -2.261 1.00 16.29 C ATOM 7 SD MET A 1 12.465 -3.887 -1.563 1.00 17.17 S ATOM 8 CE MET A 1 11.033 -2.945 -1.015 1.00 16.11 C ATOM 0 H1 MET A 1 12.301 -7.133 -5.222 1.00 9.67 H new ATOM 0 H2 MET A 1 10.748 -7.803 -5.374 1.00 9.67 H new ATOM 0 H3 MET A 1 10.930 -6.179 -4.913 1.00 9.67 H new ATOM 0 HA MET A 1 11.911 -8.496 -3.394 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.360 -7.043 -1.552 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.135 -6.389 -2.982 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.079 -4.850 -3.211 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.633 -5.372 -1.598 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.362 -1.999 -0.586 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.379 -2.750 -1.865 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.489 -3.515 -0.262 1.00 16.11 H new ATOM 20 N GLN A 2 9.919 -8.764 -1.864 1.00 9.27 N ATOM 21 CA GLN A 2 8.545 -9.099 -1.396 1.00 9.07 C ATOM 22 C GLN A 2 8.146 -8.223 -0.222 1.00 8.72 C ATOM 23 O GLN A 2 9.019 -7.907 0.594 1.00 8.22 O ATOM 24 CB GLN A 2 8.490 -10.552 -0.972 1.00 14.46 C ATOM 25 CG GLN A 2 7.009 -10.953 -0.611 1.00 17.01 C ATOM 26 CD GLN A 2 7.018 -12.494 -0.207 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.588 -13.281 -1.071 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.539 -12.904 0.976 1.00 19.49 N ATOM 0 H GLN A 2 10.689 -9.272 -1.428 1.00 9.27 H new ATOM 0 HA GLN A 2 7.851 -8.924 -2.218 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.862 -11.188 -1.775 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.139 -10.713 -0.111 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.636 -10.343 0.211 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.347 -10.783 -1.460 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.878 -12.217 1.650 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.592 -13.899 1.192 1.00 19.49 H new ATOM 37 N ILE A 3 6.851 -7.710 -0.074 1.00 5.87 N ATOM 38 CA ILE A 3 6.494 -7.031 1.162 1.00 5.07 C ATOM 39 C ILE A 3 5.117 -7.548 1.479 1.00 4.01 C ATOM 40 O ILE A 3 4.424 -8.165 0.634 1.00 4.61 O ATOM 41 CB ILE A 3 6.333 -5.507 1.011 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.585 -5.126 -0.337 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.735 -4.862 1.067 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.144 -3.626 -0.368 1.00 10.83 C ATOM 0 H ILE A 3 6.111 -7.770 -0.774 1.00 5.87 H new ATOM 0 HA ILE A 3 7.273 -7.211 1.903 1.00 5.07 H new ATOM 0 HB ILE A 3 5.716 -5.128 1.826 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.242 -5.327 -1.183 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.708 -5.763 -0.456 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.643 -3.781 0.962 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.205 -5.095 2.023 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.349 -5.254 0.256 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.637 -3.415 -1.310 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.465 -3.429 0.462 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.022 -2.987 -0.278 1.00 10.83 H new ATOM 56 N PHE A 4 4.647 -7.380 2.781 1.00 4.55 N ATOM 57 CA PHE A 4 3.258 -7.832 3.199 1.00 4.68 C ATOM 58 C PHE A 4 2.479 -6.567 3.404 1.00 5.30 C ATOM 59 O PHE A 4 2.919 -5.547 3.927 1.00 5.58 O ATOM 60 CB PHE A 4 3.227 -8.669 4.455 1.00 4.83 C ATOM 61 CG PHE A 4 4.018 -9.854 4.144 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.409 -9.992 4.379 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.345 -10.948 3.663 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.060 -11.194 4.125 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.017 -12.147 3.331 1.00 9.10 C ATOM 66 CZ PHE A 4 5.406 -12.263 3.549 1.00 8.90 C ATOM 0 H PHE A 4 5.191 -6.951 3.529 1.00 4.55 H new ATOM 0 HA PHE A 4 2.843 -8.483 2.430 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.648 -8.125 5.301 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.205 -8.937 4.725 1.00 4.83 H new ATOM 0 HD1 PHE A 4 5.971 -9.152 4.760 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.274 -10.892 3.535 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.104 -11.293 4.385 1.00 10.61 H new ATOM 0 HE2 PHE A 4 3.466 -12.975 2.910 1.00 9.10 H new ATOM 0 HZ PHE A 4 5.940 -13.160 3.274 1.00 8.90 H new ATOM 76 N VAL A 5 1.155 -6.611 3.039 1.00 4.44 N ATOM 77 CA VAL A 5 0.191 -5.565 3.320 1.00 3.87 C ATOM 78 C VAL A 5 -0.970 -6.254 4.086 1.00 4.93 C ATOM 79 O VAL A 5 -1.495 -7.313 3.622 1.00 6.84 O ATOM 80 CB VAL A 5 -0.291 -4.811 2.126 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.232 -3.664 2.575 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.933 -4.126 1.429 1.00 9.13 C ATOM 0 H VAL A 5 0.752 -7.400 2.534 1.00 4.44 H new ATOM 0 HA VAL A 5 0.671 -4.785 3.911 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.805 -5.505 1.460 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.581 -3.116 1.700 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.087 -4.082 3.107 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.690 -2.986 3.235 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.591 -3.572 0.555 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.413 -3.441 2.128 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.648 -4.888 1.119 1.00 9.13 H new ATOM 92 N LYS A 6 -1.268 -5.642 5.259 1.00 6.04 N ATOM 93 CA LYS A 6 -2.246 -6.249 6.153 1.00 6.12 C ATOM 94 C LYS A 6 -3.524 -5.428 6.238 1.00 6.57 C ATOM 95 O LYS A 6 -3.504 -4.253 6.540 1.00 5.76 O ATOM 96 CB LYS A 6 -1.824 -6.291 7.655 1.00 7.45 C ATOM 97 CG LYS A 6 -0.738 -7.342 8.022 1.00 11.12 C ATOM 98 CD LYS A 6 -1.016 -8.807 7.799 1.00 14.54 C ATOM 99 CE LYS A 6 -0.036 -9.635 8.698 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.270 -11.056 8.599 1.00 20.55 N ATOM 0 H LYS A 6 -0.858 -4.767 5.585 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.354 -7.243 5.720 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.458 -5.304 7.938 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.711 -6.487 8.257 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.162 -7.091 7.460 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.501 -7.212 9.078 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.051 -9.040 8.050 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.877 -9.064 6.749 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.992 -9.417 8.408 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.147 -9.322 9.736 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.635 -11.563 8.670 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.897 -11.359 9.371 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.717 -11.271 7.685 1.00 20.55 H new ATOM 114 N THR A 7 -4.648 -5.996 5.833 1.00 7.41 N ATOM 115 CA THR A 7 -5.950 -5.291 5.582 1.00 7.48 C ATOM 116 C THR A 7 -6.555 -4.976 6.967 1.00 8.75 C ATOM 117 O THR A 7 -6.083 -5.525 7.985 1.00 8.58 O ATOM 118 CB THR A 7 -6.955 -5.924 4.615 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.526 -7.091 5.196 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.195 -6.289 3.415 1.00 9.17 C ATOM 0 H THR A 7 -4.709 -6.999 5.656 1.00 7.41 H new ATOM 0 HA THR A 7 -5.711 -4.394 5.010 1.00 7.48 H new ATOM 0 HB THR A 7 -7.767 -5.235 4.382 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.168 -7.487 4.571 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.864 -6.747 2.686 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.746 -5.395 2.983 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.410 -6.996 3.683 1.00 9.17 H new ATOM 128 N LEU A 8 -7.639 -4.187 7.103 1.00 9.84 N ATOM 129 CA LEU A 8 -8.212 -3.706 8.341 1.00 14.15 C ATOM 130 C LEU A 8 -8.750 -4.855 9.231 1.00 17.37 C ATOM 131 O LEU A 8 -8.677 -4.933 10.464 1.00 17.01 O ATOM 132 CB LEU A 8 -9.274 -2.692 8.001 1.00 16.63 C ATOM 133 CG LEU A 8 -9.832 -1.795 9.177 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.876 -0.932 10.011 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.931 -0.877 8.511 1.00 18.59 C ATOM 0 H LEU A 8 -8.159 -3.857 6.290 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.436 -3.231 8.941 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.873 -2.029 7.234 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.115 -3.223 7.555 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.174 -2.498 9.936 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.442 -0.389 10.768 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.140 -1.571 10.498 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.366 -0.221 9.361 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.366 -0.223 9.267 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.474 -0.272 7.728 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.713 -1.501 8.078 1.00 18.59 H new ATOM 147 N THR A 9 -9.279 -5.890 8.580 1.00 18.33 N ATOM 148 CA THR A 9 -9.703 -7.058 9.294 1.00 19.24 C ATOM 149 C THR A 9 -8.646 -8.176 9.204 1.00 19.48 C ATOM 150 O THR A 9 -8.909 -9.323 9.522 1.00 23.14 O ATOM 151 CB THR A 9 -10.990 -7.627 8.772 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.970 -7.808 7.341 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.167 -6.671 9.177 1.00 19.70 C ATOM 0 H THR A 9 -9.417 -5.929 7.570 1.00 18.33 H new ATOM 0 HA THR A 9 -9.844 -6.728 10.323 1.00 19.24 H new ATOM 0 HB THR A 9 -11.129 -8.614 9.214 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.827 -8.182 7.047 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.108 -7.074 8.803 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.213 -6.590 10.263 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.999 -5.684 8.747 1.00 19.70 H new ATOM 161 N GLY A 10 -7.411 -7.865 8.735 1.00 19.43 N ATOM 162 CA GLY A 10 -6.243 -8.725 8.907 1.00 18.74 C ATOM 163 C GLY A 10 -5.969 -9.764 7.883 1.00 17.62 C ATOM 164 O GLY A 10 -5.490 -10.836 8.234 1.00 19.74 O ATOM 0 H GLY A 10 -7.211 -7.004 8.227 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.365 -8.082 8.970 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.340 -9.227 9.870 1.00 18.74 H new ATOM 168 N LYS A 11 -6.328 -9.550 6.625 1.00 13.56 N ATOM 169 CA LYS A 11 -5.951 -10.401 5.547 1.00 11.91 C ATOM 170 C LYS A 11 -4.403 -10.289 5.335 1.00 10.18 C ATOM 171 O LYS A 11 -3.820 -9.241 5.662 1.00 9.10 O ATOM 172 CB LYS A 11 -6.802 -10.106 4.270 1.00 13.43 C ATOM 173 CG LYS A 11 -6.680 -11.242 3.333 1.00 16.69 C ATOM 174 CD LYS A 11 -7.804 -11.238 2.228 1.00 17.92 C ATOM 175 CE LYS A 11 -7.742 -12.349 1.176 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.664 -12.097 0.084 1.00 21.93 N ATOM 0 H LYS A 11 -6.902 -8.757 6.338 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.168 -11.442 5.784 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.847 -9.953 4.542 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.459 -9.188 3.794 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.702 -11.208 2.852 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.728 -12.176 3.892 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.771 -11.296 2.727 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.769 -10.279 1.712 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.727 -12.427 0.786 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.979 -13.306 1.641 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.319 -12.568 -0.777 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.603 -12.469 0.330 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.731 -11.073 -0.085 1.00 21.93 H new ATOM 190 N THR A 12 -3.720 -11.393 4.911 1.00 9.63 N ATOM 191 CA THR A 12 -2.336 -11.274 4.456 1.00 9.85 C ATOM 192 C THR A 12 -2.338 -11.166 2.979 1.00 11.66 C ATOM 193 O THR A 12 -2.837 -12.088 2.324 1.00 12.33 O ATOM 194 CB THR A 12 -1.408 -12.470 4.889 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.488 -12.490 6.303 1.00 10.91 O ATOM 196 CG2 THR A 12 0.018 -12.204 4.474 1.00 9.63 C ATOM 0 H THR A 12 -4.105 -12.337 4.881 1.00 9.63 H new ATOM 0 HA THR A 12 -1.921 -10.385 4.932 1.00 9.85 H new ATOM 0 HB THR A 12 -1.713 -13.411 4.431 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.932 -13.217 6.652 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.648 -13.039 4.780 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.067 -12.091 3.391 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.371 -11.290 4.951 1.00 9.63 H new ATOM 204 N ILE A 13 -1.773 -9.993 2.457 1.00 10.42 N ATOM 205 CA ILE A 13 -1.486 -9.657 1.105 1.00 11.84 C ATOM 206 C ILE A 13 0.008 -9.689 0.865 1.00 10.55 C ATOM 207 O ILE A 13 0.703 -9.060 1.670 1.00 11.92 O ATOM 208 CB ILE A 13 -1.973 -8.315 0.639 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.396 -8.166 1.200 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.987 -8.098 -0.918 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.385 -9.264 0.764 1.00 16.46 C ATOM 0 H ILE A 13 -1.507 -9.233 3.083 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.031 -10.409 0.535 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.274 -7.561 1.000 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.342 -8.158 2.289 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.792 -7.198 0.893 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.356 -7.097 -1.143 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.976 -8.209 -1.310 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.639 -8.838 -1.383 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.361 -9.073 1.210 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.476 -9.262 -0.322 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.019 -10.236 1.095 1.00 16.46 H new ATOM 223 N THR A 14 0.430 -10.404 -0.220 1.00 9.39 N ATOM 224 CA THR A 14 1.796 -10.626 -0.546 1.00 9.63 C ATOM 225 C THR A 14 2.105 -9.940 -1.833 1.00 11.20 C ATOM 226 O THR A 14 1.471 -10.242 -2.839 1.00 11.63 O ATOM 227 CB THR A 14 2.228 -12.070 -0.548 1.00 10.38 C ATOM 228 OG1 THR A 14 1.836 -12.654 0.641 1.00 16.30 O ATOM 229 CG2 THR A 14 3.696 -12.121 -0.597 1.00 11.66 C ATOM 0 H THR A 14 -0.217 -10.834 -0.881 1.00 9.39 H new ATOM 0 HA THR A 14 2.388 -10.193 0.260 1.00 9.63 H new ATOM 0 HB THR A 14 1.787 -12.585 -1.401 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.485 -12.437 1.342 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.024 -13.160 -0.599 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.047 -11.628 -1.503 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.107 -11.612 0.275 1.00 11.66 H new ATOM 237 N LEU A 15 2.992 -8.903 -1.826 1.00 8.29 N ATOM 238 CA LEU A 15 3.294 -8.172 -3.068 1.00 9.03 C ATOM 239 C LEU A 15 4.730 -8.249 -3.469 1.00 8.59 C ATOM 240 O LEU A 15 5.626 -7.986 -2.700 1.00 7.79 O ATOM 241 CB LEU A 15 3.012 -6.615 -2.798 1.00 11.08 C ATOM 242 CG LEU A 15 1.601 -6.344 -2.234 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.422 -4.841 -2.158 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.501 -6.833 -3.259 1.00 15.27 C ATOM 0 H LEU A 15 3.489 -8.572 -0.999 1.00 8.29 H new ATOM 0 HA LEU A 15 2.681 -8.617 -3.852 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.756 -6.233 -2.099 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.137 -6.062 -3.729 1.00 11.08 H new ATOM 0 HG LEU A 15 1.501 -6.849 -1.273 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.432 -4.612 -1.762 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.182 -4.417 -1.502 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.522 -4.412 -3.155 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.490 -6.637 -2.850 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.618 -6.297 -4.201 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.616 -7.903 -3.433 1.00 15.27 H new ATOM 256 N GLU A 16 5.123 -8.570 -4.696 1.00 11.04 N ATOM 257 CA GLU A 16 6.449 -8.317 -5.251 1.00 11.50 C ATOM 258 C GLU A 16 6.479 -6.891 -5.843 1.00 10.13 C ATOM 259 O GLU A 16 5.695 -6.541 -6.718 1.00 9.83 O ATOM 260 CB GLU A 16 6.766 -9.304 -6.398 1.00 17.22 C ATOM 261 CG GLU A 16 8.159 -9.146 -7.060 1.00 23.33 C ATOM 262 CD GLU A 16 9.264 -9.552 -6.147 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.100 -10.475 -5.336 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.410 -9.018 -6.285 1.00 28.90 O ATOM 0 H GLU A 16 4.502 -9.033 -5.359 1.00 11.04 H new ATOM 0 HA GLU A 16 7.182 -8.437 -4.453 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.682 -10.320 -6.011 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.004 -9.192 -7.169 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.199 -9.749 -7.967 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.301 -8.108 -7.361 1.00 23.33 H new ATOM 271 N VAL A 17 7.469 -6.056 -5.404 1.00 8.99 N ATOM 272 CA VAL A 17 7.446 -4.653 -5.631 1.00 8.85 C ATOM 273 C VAL A 17 8.841 -4.270 -5.702 1.00 8.04 C ATOM 274 O VAL A 17 9.736 -4.962 -5.297 1.00 8.99 O ATOM 275 CB VAL A 17 6.900 -3.815 -4.467 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.416 -4.060 -4.220 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.600 -4.148 -3.121 1.00 10.54 C ATOM 0 H VAL A 17 8.287 -6.378 -4.887 1.00 8.99 H new ATOM 0 HA VAL A 17 6.819 -4.475 -6.505 1.00 8.85 H new ATOM 0 HB VAL A 17 7.087 -2.785 -4.769 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.079 -3.443 -3.387 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.851 -3.801 -5.115 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.256 -5.111 -3.981 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.179 -3.529 -2.329 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.445 -5.200 -2.881 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.668 -3.949 -3.207 1.00 10.54 H new ATOM 287 N GLU A 18 9.195 -3.070 -6.262 1.00 7.29 N ATOM 288 CA GLU A 18 10.588 -2.617 -6.311 1.00 7.08 C ATOM 289 C GLU A 18 10.764 -1.461 -5.285 1.00 6.45 C ATOM 290 O GLU A 18 9.753 -0.744 -5.021 1.00 5.28 O ATOM 291 CB GLU A 18 10.847 -2.184 -7.765 1.00 10.28 C ATOM 292 CG GLU A 18 10.577 -3.281 -8.825 1.00 12.65 C ATOM 293 CD GLU A 18 11.396 -2.931 -10.034 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.662 -3.031 -9.981 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.875 -2.407 -11.049 1.00 18.17 O ATOM 0 H GLU A 18 8.528 -2.419 -6.677 1.00 7.29 H new ATOM 0 HA GLU A 18 11.309 -3.388 -6.040 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.222 -1.320 -7.989 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.884 -1.859 -7.854 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.853 -4.264 -8.443 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.517 -3.323 -9.076 1.00 12.65 H new ATOM 302 N PRO A 19 11.990 -1.096 -4.761 1.00 7.24 N ATOM 303 CA PRO A 19 12.234 0.112 -4.015 1.00 7.07 C ATOM 304 C PRO A 19 11.734 1.279 -4.765 1.00 6.65 C ATOM 305 O PRO A 19 11.272 2.204 -4.141 1.00 6.37 O ATOM 306 CB PRO A 19 13.778 0.102 -3.882 1.00 7.61 C ATOM 307 CG PRO A 19 14.167 -1.365 -3.781 1.00 8.16 C ATOM 308 CD PRO A 19 13.196 -1.911 -4.877 1.00 7.49 C ATOM 0 HA PRO A 19 11.733 0.167 -3.049 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.249 0.575 -4.744 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.100 0.655 -3.000 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.217 -1.545 -4.012 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.980 -1.790 -2.795 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.635 -1.825 -5.871 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.975 -2.966 -4.717 1.00 7.49 H new ATOM 316 N SER A 20 11.706 1.305 -6.068 1.00 6.80 N ATOM 317 CA SER A 20 11.347 2.532 -6.764 1.00 6.28 C ATOM 318 C SER A 20 9.906 2.552 -7.304 1.00 8.45 C ATOM 319 O SER A 20 9.632 3.296 -8.219 1.00 7.26 O ATOM 320 CB SER A 20 12.295 2.757 -7.972 1.00 8.57 C ATOM 321 OG SER A 20 13.653 2.731 -7.548 1.00 11.13 O ATOM 0 H SER A 20 11.922 0.511 -6.671 1.00 6.80 H new ATOM 0 HA SER A 20 11.438 3.319 -6.016 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.127 1.985 -8.723 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.073 3.714 -8.444 1.00 8.57 H new ATOM 0 HG SER A 20 14.240 2.872 -8.320 1.00 11.13 H new ATOM 327 N ASP A 21 8.986 1.816 -6.670 1.00 7.50 N ATOM 328 CA ASP A 21 7.622 1.791 -7.033 1.00 7.70 C ATOM 329 C ASP A 21 6.841 2.792 -6.305 1.00 7.08 C ATOM 330 O ASP A 21 7.130 3.136 -5.171 1.00 8.11 O ATOM 331 CB ASP A 21 6.909 0.405 -6.845 1.00 11.00 C ATOM 332 CG ASP A 21 7.307 -0.512 -7.986 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.642 -0.027 -9.092 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.236 -1.763 -7.873 1.00 18.03 O ATOM 0 H ASP A 21 9.206 1.217 -5.874 1.00 7.50 H new ATOM 0 HA ASP A 21 7.648 2.012 -8.100 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.192 -0.038 -5.890 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.827 0.537 -6.828 1.00 11.00 H new ATOM 339 N THR A 22 5.856 3.401 -6.948 1.00 5.37 N ATOM 340 CA THR A 22 5.059 4.364 -6.313 1.00 6.01 C ATOM 341 C THR A 22 3.943 3.705 -5.497 1.00 8.01 C ATOM 342 O THR A 22 3.516 2.565 -5.810 1.00 8.11 O ATOM 343 CB THR A 22 4.422 5.426 -7.324 1.00 8.92 C ATOM 344 OG1 THR A 22 3.491 4.841 -8.280 1.00 10.22 O ATOM 345 CG2 THR A 22 5.578 6.009 -8.147 1.00 9.65 C ATOM 0 H THR A 22 5.611 3.222 -7.922 1.00 5.37 H new ATOM 0 HA THR A 22 5.730 4.908 -5.649 1.00 6.01 H new ATOM 0 HB THR A 22 3.876 6.156 -6.727 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.138 5.544 -8.865 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.188 6.742 -8.854 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.292 6.492 -7.480 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.076 5.208 -8.693 1.00 9.65 H new ATOM 353 N ILE A 23 3.426 4.340 -4.404 1.00 8.32 N ATOM 354 CA ILE A 23 2.311 3.849 -3.603 1.00 9.92 C ATOM 355 C ILE A 23 1.087 3.656 -4.536 1.00 10.01 C ATOM 356 O ILE A 23 0.405 2.614 -4.448 1.00 8.71 O ATOM 357 CB ILE A 23 2.047 4.764 -2.446 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.300 5.161 -1.644 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.912 4.319 -1.546 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.993 3.938 -1.023 1.00 12.30 C ATOM 0 H ILE A 23 3.797 5.228 -4.064 1.00 8.32 H new ATOM 0 HA ILE A 23 2.547 2.882 -3.158 1.00 9.92 H new ATOM 0 HB ILE A 23 1.706 5.679 -2.931 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.000 5.682 -2.298 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.020 5.859 -0.855 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.788 5.037 -0.735 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.010 4.262 -2.124 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.141 3.338 -1.130 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.872 4.262 -0.466 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.302 3.432 -0.349 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.297 3.252 -1.813 1.00 12.30 H new ATOM 372 N GLU A 24 0.922 4.509 -5.532 1.00 9.54 N ATOM 373 CA GLU A 24 -0.143 4.351 -6.493 1.00 11.81 C ATOM 374 C GLU A 24 0.006 3.023 -7.313 1.00 11.14 C ATOM 375 O GLU A 24 -0.970 2.320 -7.553 1.00 10.62 O ATOM 376 CB GLU A 24 -0.092 5.626 -7.512 1.00 19.24 C ATOM 377 CG GLU A 24 -1.111 5.600 -8.703 1.00 27.76 C ATOM 378 CD GLU A 24 -1.260 6.866 -9.622 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.212 7.274 -10.261 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.374 7.443 -9.665 1.00 34.80 O ATOM 0 H GLU A 24 1.518 5.321 -5.692 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.094 4.303 -5.963 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.264 6.534 -6.934 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.915 5.696 -7.924 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.842 4.761 -9.344 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.094 5.381 -8.287 1.00 27.76 H new ATOM 387 N ASN A 25 1.275 2.643 -7.707 1.00 9.43 N ATOM 388 CA ASN A 25 1.598 1.430 -8.371 1.00 10.96 C ATOM 389 C ASN A 25 1.307 0.243 -7.533 1.00 9.68 C ATOM 390 O ASN A 25 0.686 -0.743 -8.038 1.00 9.33 O ATOM 391 CB ASN A 25 3.097 1.502 -8.785 1.00 16.78 C ATOM 392 CG ASN A 25 3.455 0.437 -9.848 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.085 -0.537 -9.483 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.028 0.746 -11.120 1.00 24.70 N ATOM 0 H ASN A 25 2.092 3.230 -7.541 1.00 9.43 H new ATOM 0 HA ASN A 25 0.975 1.315 -9.258 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.318 2.495 -9.177 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.724 1.361 -7.904 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.237 0.116 -11.895 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.503 1.604 -11.287 1.00 24.70 H new ATOM 401 N VAL A 26 1.638 0.255 -6.232 1.00 6.52 N ATOM 402 CA VAL A 26 1.269 -0.770 -5.234 1.00 5.53 C ATOM 403 C VAL A 26 -0.273 -0.890 -5.089 1.00 4.42 C ATOM 404 O VAL A 26 -0.752 -2.026 -5.016 1.00 3.40 O ATOM 405 CB VAL A 26 1.906 -0.339 -3.941 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.522 -1.217 -2.724 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.451 -0.405 -4.052 1.00 8.12 C ATOM 0 H VAL A 26 2.193 1.009 -5.827 1.00 6.52 H new ATOM 0 HA VAL A 26 1.618 -1.757 -5.537 1.00 5.53 H new ATOM 0 HB VAL A 26 1.538 0.674 -3.777 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.022 -0.841 -1.832 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.443 -1.183 -2.577 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.831 -2.246 -2.906 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.897 -0.090 -3.109 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.756 -1.427 -4.275 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.787 0.256 -4.851 1.00 8.12 H new ATOM 417 N LYS A 27 -0.994 0.231 -5.060 1.00 2.64 N ATOM 418 CA LYS A 27 -2.439 0.336 -5.046 1.00 4.14 C ATOM 419 C LYS A 27 -3.211 -0.252 -6.258 1.00 5.58 C ATOM 420 O LYS A 27 -4.301 -0.849 -6.189 1.00 4.11 O ATOM 421 CB LYS A 27 -3.069 1.745 -4.725 1.00 3.97 C ATOM 422 CG LYS A 27 -2.661 2.265 -3.331 1.00 7.45 C ATOM 423 CD LYS A 27 -3.311 3.644 -3.083 1.00 9.02 C ATOM 424 CE LYS A 27 -3.010 4.407 -1.788 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.696 5.690 -1.691 1.00 15.47 N ATOM 0 H LYS A 27 -0.546 1.147 -5.045 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.587 -0.314 -4.184 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.756 2.462 -5.484 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.155 1.676 -4.781 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.976 1.560 -2.562 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.576 2.346 -3.265 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.029 4.290 -3.914 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.391 3.509 -3.137 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.294 3.788 -0.937 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.935 4.573 -1.716 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.182 6.309 -1.032 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.731 6.137 -2.630 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.664 5.540 -1.342 1.00 15.47 H new ATOM 439 N ALA A 28 -2.603 -0.244 -7.491 1.00 6.61 N ATOM 440 CA ALA A 28 -3.194 -0.893 -8.696 1.00 7.74 C ATOM 441 C ALA A 28 -2.762 -2.421 -8.711 1.00 9.17 C ATOM 442 O ALA A 28 -3.440 -3.284 -9.217 1.00 11.45 O ATOM 443 CB ALA A 28 -2.673 -0.171 -9.956 1.00 7.68 C ATOM 0 H ALA A 28 -1.705 0.207 -7.667 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.282 -0.829 -8.677 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.099 -0.637 -10.845 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.966 0.878 -9.921 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.586 -0.243 -9.994 1.00 7.68 H new ATOM 449 N LYS A 29 -1.661 -2.737 -8.014 1.00 8.96 N ATOM 450 CA LYS A 29 -1.282 -4.090 -7.706 1.00 7.90 C ATOM 451 C LYS A 29 -2.201 -4.765 -6.761 1.00 6.92 C ATOM 452 O LYS A 29 -2.594 -5.891 -6.977 1.00 6.87 O ATOM 453 CB LYS A 29 0.199 -4.121 -7.365 1.00 10.28 C ATOM 454 CG LYS A 29 0.895 -5.493 -7.281 1.00 14.94 C ATOM 455 CD LYS A 29 2.394 -5.524 -7.133 1.00 19.69 C ATOM 456 CE LYS A 29 3.037 -4.890 -8.407 1.00 22.63 C ATOM 457 NZ LYS A 29 4.477 -4.699 -8.352 1.00 24.98 N ATOM 0 H LYS A 29 -1.012 -2.038 -7.652 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.405 -4.721 -8.586 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.725 -3.525 -8.110 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.331 -3.621 -6.406 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.466 -6.033 -6.437 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.638 -6.052 -8.181 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.697 -4.973 -6.243 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.740 -6.550 -7.006 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.804 -5.523 -9.263 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.566 -3.924 -8.588 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.900 -4.986 -9.258 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.688 -3.696 -8.174 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.875 -5.278 -7.585 1.00 24.98 H new ATOM 471 N ILE A 30 -2.618 -4.045 -5.698 1.00 4.57 N ATOM 472 CA ILE A 30 -3.626 -4.521 -4.782 1.00 5.58 C ATOM 473 C ILE A 30 -5.045 -4.576 -5.468 1.00 7.26 C ATOM 474 O ILE A 30 -5.870 -5.465 -5.204 1.00 9.46 O ATOM 475 CB ILE A 30 -3.633 -3.709 -3.511 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.283 -3.691 -2.673 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.918 -4.059 -2.601 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.270 -2.569 -1.577 1.00 2.00 C ATOM 0 H ILE A 30 -2.254 -3.121 -5.468 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.373 -5.544 -4.503 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.713 -2.678 -3.856 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.142 -4.661 -2.197 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.441 -3.543 -3.350 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.895 -3.458 -1.692 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.829 -3.840 -3.158 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.900 -5.116 -2.337 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.325 -2.601 -1.034 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.382 -1.595 -2.052 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.094 -2.730 -0.882 1.00 2.00 H new ATOM 490 N GLN A 31 -5.265 -3.744 -6.509 1.00 7.06 N ATOM 491 CA GLN A 31 -6.490 -3.828 -7.302 1.00 8.67 C ATOM 492 C GLN A 31 -6.505 -5.167 -8.049 1.00 10.90 C ATOM 493 O GLN A 31 -7.551 -5.848 -8.076 1.00 9.63 O ATOM 494 CB GLN A 31 -6.599 -2.628 -8.259 1.00 9.12 C ATOM 495 CG GLN A 31 -7.820 -2.522 -9.179 1.00 10.76 C ATOM 496 CD GLN A 31 -7.691 -1.339 -10.177 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.618 -0.727 -10.369 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.760 -0.921 -10.851 1.00 14.76 N ATOM 0 H GLN A 31 -4.614 -3.019 -6.810 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.362 -3.787 -6.650 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.562 -1.721 -7.656 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.710 -2.628 -8.890 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.939 -3.453 -9.733 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.719 -2.392 -8.576 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.657 -1.390 -10.726 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.682 -0.132 -11.492 1.00 14.76 H new ATOM 507 N ASP A 32 -5.404 -5.566 -8.679 1.00 10.93 N ATOM 508 CA ASP A 32 -5.189 -6.912 -9.173 1.00 14.01 C ATOM 509 C ASP A 32 -5.341 -8.070 -8.149 1.00 14.04 C ATOM 510 O ASP A 32 -6.112 -9.036 -8.307 1.00 13.39 O ATOM 511 CB ASP A 32 -3.869 -6.872 -9.963 1.00 18.01 C ATOM 512 CG ASP A 32 -3.607 -7.975 -10.918 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.985 -7.927 -12.113 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.969 -8.924 -10.411 1.00 25.17 O ATOM 0 H ASP A 32 -4.619 -4.941 -8.862 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.013 -7.193 -9.829 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.837 -5.934 -10.517 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.049 -6.847 -9.246 1.00 18.01 H new ATOM 519 N LYS A 33 -4.665 -7.988 -6.923 1.00 14.22 N ATOM 520 CA LYS A 33 -4.749 -8.978 -5.894 1.00 14.00 C ATOM 521 C LYS A 33 -6.149 -9.171 -5.204 1.00 12.37 C ATOM 522 O LYS A 33 -6.601 -10.267 -4.947 1.00 12.17 O ATOM 523 CB LYS A 33 -3.783 -8.575 -4.762 1.00 18.62 C ATOM 524 CG LYS A 33 -2.290 -8.719 -5.198 1.00 24.00 C ATOM 525 CD LYS A 33 -1.735 -10.130 -5.141 1.00 27.61 C ATOM 526 CE LYS A 33 -0.310 -10.207 -5.708 1.00 27.64 C ATOM 527 NZ LYS A 33 0.195 -11.551 -5.493 1.00 30.06 N ATOM 0 H LYS A 33 -4.059 -7.205 -6.679 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.518 -9.913 -6.404 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.978 -7.544 -4.467 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.968 -9.198 -3.887 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.188 -8.346 -6.217 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.679 -8.079 -4.562 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.734 -10.479 -4.108 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.386 -10.799 -5.703 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.311 -9.968 -6.771 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.334 -9.477 -5.218 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.788 -11.832 -6.300 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.763 -11.573 -4.622 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.603 -12.212 -5.403 1.00 30.06 H new ATOM 541 N GLU A 34 -6.841 -8.029 -4.836 1.00 10.11 N ATOM 542 CA GLU A 34 -8.030 -8.078 -3.974 1.00 10.07 C ATOM 543 C GLU A 34 -9.210 -7.244 -4.401 1.00 9.32 C ATOM 544 O GLU A 34 -10.250 -7.328 -3.756 1.00 11.61 O ATOM 545 CB GLU A 34 -7.572 -7.477 -2.692 1.00 14.77 C ATOM 546 CG GLU A 34 -6.579 -8.317 -1.886 1.00 18.75 C ATOM 547 CD GLU A 34 -7.215 -9.557 -1.283 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.273 -9.431 -0.647 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.773 -10.703 -1.575 1.00 21.95 O ATOM 0 H GLU A 34 -6.579 -7.089 -5.132 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.378 -9.111 -3.965 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.113 -6.512 -2.907 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.446 -7.283 -2.070 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.753 -8.615 -2.532 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.156 -7.706 -1.089 1.00 18.75 H new ATOM 556 N GLY A 35 -9.044 -6.557 -5.536 1.00 7.22 N ATOM 557 CA GLY A 35 -10.142 -5.962 -6.225 1.00 6.29 C ATOM 558 C GLY A 35 -10.588 -4.702 -5.584 1.00 6.93 C ATOM 559 O GLY A 35 -11.688 -4.243 -5.723 1.00 7.41 O ATOM 0 H GLY A 35 -8.139 -6.411 -5.984 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.855 -5.761 -7.257 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.974 -6.666 -6.257 1.00 6.29 H new ATOM 563 N ILE A 36 -9.787 -4.070 -4.720 1.00 5.86 N ATOM 564 CA ILE A 36 -10.121 -2.775 -4.142 1.00 6.07 C ATOM 565 C ILE A 36 -9.672 -1.720 -5.119 1.00 6.36 C ATOM 566 O ILE A 36 -8.449 -1.708 -5.374 1.00 6.18 O ATOM 567 CB ILE A 36 -9.390 -2.659 -2.794 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.506 -3.979 -1.923 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.861 -1.353 -2.127 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.969 -3.949 -0.502 1.00 9.49 C ATOM 0 H ILE A 36 -8.892 -4.445 -4.406 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.189 -2.655 -3.962 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.311 -2.583 -2.928 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.559 -4.255 -1.875 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.991 -4.777 -2.457 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.362 -1.235 -1.165 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.615 -0.507 -2.769 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.940 -1.391 -1.974 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.120 -4.922 -0.035 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.904 -3.716 -0.520 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.497 -3.187 0.071 1.00 9.49 H new ATOM 582 N PRO A 37 -10.489 -0.758 -5.639 1.00 8.65 N ATOM 583 CA PRO A 37 -10.038 0.362 -6.525 1.00 9.18 C ATOM 584 C PRO A 37 -8.902 1.209 -5.891 1.00 9.85 C ATOM 585 O PRO A 37 -8.870 1.429 -4.648 1.00 8.51 O ATOM 586 CB PRO A 37 -11.329 1.064 -6.839 1.00 11.42 C ATOM 587 CG PRO A 37 -12.421 -0.042 -6.794 1.00 9.27 C ATOM 588 CD PRO A 37 -11.937 -0.843 -5.616 1.00 8.33 C ATOM 0 HA PRO A 37 -9.540 0.054 -7.444 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.536 1.850 -6.113 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.290 1.538 -7.820 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.420 0.365 -6.638 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.456 -0.630 -7.711 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.336 -0.444 -4.683 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.268 -1.879 -5.687 1.00 8.33 H new ATOM 596 N PRO A 38 -7.904 1.809 -6.561 1.00 8.71 N ATOM 597 CA PRO A 38 -6.838 2.664 -6.016 1.00 9.08 C ATOM 598 C PRO A 38 -7.344 3.859 -5.216 1.00 9.28 C ATOM 599 O PRO A 38 -6.605 4.424 -4.432 1.00 6.50 O ATOM 600 CB PRO A 38 -6.027 3.064 -7.236 1.00 10.31 C ATOM 601 CG PRO A 38 -6.188 1.941 -8.230 1.00 10.81 C ATOM 602 CD PRO A 38 -7.518 1.370 -7.897 1.00 12.00 C ATOM 0 HA PRO A 38 -6.242 2.132 -5.275 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.385 4.006 -7.651 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.978 3.208 -6.977 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.154 2.306 -9.257 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.396 1.199 -8.129 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.260 1.693 -8.628 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.481 0.281 -7.939 1.00 12.00 H new ATOM 610 N ASP A 39 -8.580 4.297 -5.331 1.00 11.20 N ATOM 611 CA ASP A 39 -9.133 5.367 -4.591 1.00 14.96 C ATOM 612 C ASP A 39 -9.967 4.889 -3.424 1.00 13.99 C ATOM 613 O ASP A 39 -10.530 5.675 -2.690 1.00 13.75 O ATOM 614 CB ASP A 39 -9.966 6.419 -5.387 1.00 24.16 C ATOM 615 CG ASP A 39 -9.154 7.176 -6.454 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.483 6.488 -7.259 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.376 8.389 -6.524 1.00 34.22 O ATOM 0 H ASP A 39 -9.246 3.881 -5.983 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.235 5.883 -4.252 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.803 5.915 -5.870 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.389 7.139 -4.687 1.00 24.16 H new ATOM 622 N GLN A 40 -9.943 3.569 -3.194 1.00 11.60 N ATOM 623 CA GLN A 40 -10.612 2.971 -2.099 1.00 10.76 C ATOM 624 C GLN A 40 -9.553 2.459 -1.102 1.00 8.01 C ATOM 625 O GLN A 40 -9.877 1.682 -0.188 1.00 8.96 O ATOM 626 CB GLN A 40 -11.658 1.941 -2.524 1.00 11.14 C ATOM 627 CG GLN A 40 -12.840 2.606 -3.214 1.00 14.85 C ATOM 628 CD GLN A 40 -13.982 1.574 -3.109 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.541 1.118 -4.097 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.376 1.200 -1.824 1.00 18.16 N ATOM 0 H GLN A 40 -9.445 2.905 -3.787 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.218 3.715 -1.582 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.203 1.214 -3.197 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.007 1.391 -1.650 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.107 3.544 -2.727 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.612 2.840 -4.254 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.899 1.590 -1.011 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.141 0.537 -1.698 1.00 18.16 H new ATOM 639 N GLN A 41 -8.255 2.878 -1.169 1.00 6.52 N ATOM 640 CA GLN A 41 -7.246 2.438 -0.231 1.00 3.87 C ATOM 641 C GLN A 41 -6.461 3.541 0.503 1.00 4.79 C ATOM 642 O GLN A 41 -5.853 4.356 -0.136 1.00 6.34 O ATOM 643 CB GLN A 41 -6.239 1.592 -1.045 1.00 4.20 C ATOM 644 CG GLN A 41 -6.826 0.272 -1.704 1.00 3.20 C ATOM 645 CD GLN A 41 -5.739 -0.300 -2.635 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.551 -0.470 -2.257 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.161 -0.652 -3.838 1.00 7.13 N ATOM 0 H GLN A 41 -7.908 3.524 -1.878 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.771 1.902 0.560 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.822 2.217 -1.835 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.413 1.313 -0.390 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.095 -0.454 -0.936 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.734 0.494 -2.265 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.133 -0.496 -4.103 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.514 -1.080 -4.500 1.00 7.13 H new ATOM 656 N ARG A 42 -6.548 3.517 1.837 1.00 5.73 N ATOM 657 CA ARG A 42 -5.560 4.222 2.613 1.00 6.97 C ATOM 658 C ARG A 42 -4.451 3.211 2.966 1.00 7.15 C ATOM 659 O ARG A 42 -4.693 2.080 3.443 1.00 7.33 O ATOM 660 CB ARG A 42 -6.318 4.700 3.828 1.00 13.23 C ATOM 661 CG ARG A 42 -7.084 5.978 3.546 1.00 21.27 C ATOM 662 CD ARG A 42 -7.813 6.605 4.804 1.00 26.14 C ATOM 663 NE ARG A 42 -8.307 8.018 4.450 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.602 8.386 4.430 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.599 7.541 4.812 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.927 9.647 4.090 1.00 36.39 N ATOM 0 H ARG A 42 -7.268 3.033 2.373 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.084 5.064 2.110 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.012 3.924 4.152 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.621 4.868 4.649 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.394 6.716 3.138 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.828 5.777 2.775 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.653 5.977 5.103 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.129 6.648 5.652 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.608 8.722 4.215 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.375 6.597 5.126 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.570 7.852 4.785 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.195 10.315 3.850 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.906 9.934 4.072 1.00 36.39 H new ATOM 680 N LEU A 43 -3.198 3.561 2.639 1.00 4.65 N ATOM 681 CA LEU A 43 -2.035 2.704 2.974 1.00 3.51 C ATOM 682 C LEU A 43 -1.333 3.479 4.065 1.00 5.56 C ATOM 683 O LEU A 43 -1.012 4.649 3.933 1.00 4.19 O ATOM 684 CB LEU A 43 -1.242 2.359 1.729 1.00 3.74 C ATOM 685 CG LEU A 43 -1.897 1.310 0.769 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.021 1.102 -0.493 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.206 0.052 1.582 1.00 6.41 C ATOM 0 H LEU A 43 -2.958 4.422 2.147 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.270 1.708 3.349 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.067 3.277 1.168 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.266 1.982 2.036 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.848 1.659 0.367 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.494 0.369 -1.147 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.917 2.048 -1.024 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.036 0.742 -0.197 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.664 -0.696 0.935 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.282 -0.347 2.000 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.893 0.301 2.391 1.00 6.41 H new ATOM 699 N ILE A 44 -1.039 2.736 5.149 1.00 4.58 N ATOM 700 CA ILE A 44 -0.335 3.294 6.329 1.00 5.55 C ATOM 701 C ILE A 44 0.892 2.428 6.560 1.00 5.46 C ATOM 702 O ILE A 44 0.780 1.185 6.544 1.00 6.04 O ATOM 703 CB ILE A 44 -1.202 3.395 7.593 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.641 3.917 7.277 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.497 4.201 8.634 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.776 5.292 6.678 1.00 13.90 C ATOM 0 H ILE A 44 -1.276 1.748 5.236 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.063 4.328 6.118 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.346 2.394 7.999 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.112 3.208 6.596 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.215 3.898 8.204 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.119 4.267 9.526 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.449 3.722 8.886 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.305 5.203 8.250 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.830 5.516 6.515 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.350 6.029 7.359 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.246 5.328 5.726 1.00 13.90 H new ATOM 718 N PHE A 45 2.097 2.991 6.820 1.00 6.75 N ATOM 719 CA PHE A 45 3.257 2.134 7.228 1.00 4.70 C ATOM 720 C PHE A 45 3.981 2.839 8.378 1.00 6.34 C ATOM 721 O PHE A 45 4.437 3.961 8.193 1.00 5.45 O ATOM 722 CB PHE A 45 4.129 1.849 5.977 1.00 5.51 C ATOM 723 CG PHE A 45 5.516 1.334 6.288 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.736 0.042 6.705 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.660 2.176 6.087 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.995 -0.503 7.004 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.918 1.631 6.415 1.00 6.64 C ATOM 728 CZ PHE A 45 8.080 0.340 6.899 1.00 6.84 C ATOM 0 H PHE A 45 2.296 3.990 6.761 1.00 6.75 H new ATOM 0 HA PHE A 45 2.956 1.157 7.605 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.616 1.120 5.350 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.217 2.766 5.394 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.875 -0.602 6.810 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.562 3.180 5.702 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.108 -1.535 7.302 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.796 2.246 6.284 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.060 -0.005 7.194 1.00 6.84 H new ATOM 738 N ALA A 46 4.047 2.202 9.570 1.00 6.53 N ATOM 739 CA ALA A 46 4.399 2.735 10.873 1.00 7.15 C ATOM 740 C ALA A 46 3.774 4.069 11.238 1.00 9.00 C ATOM 741 O ALA A 46 4.427 4.993 11.806 1.00 11.15 O ATOM 742 CB ALA A 46 5.937 2.727 10.935 1.00 8.99 C ATOM 0 H ALA A 46 3.831 1.207 9.631 1.00 6.53 H new ATOM 0 HA ALA A 46 3.967 2.100 11.647 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.264 3.119 11.898 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.301 1.706 10.817 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.337 3.350 10.135 1.00 8.99 H new ATOM 748 N GLY A 47 2.541 4.150 10.864 1.00 9.35 N ATOM 749 CA GLY A 47 1.682 5.334 11.051 1.00 11.68 C ATOM 750 C GLY A 47 1.812 6.398 10.027 1.00 11.14 C ATOM 751 O GLY A 47 1.197 7.436 10.137 1.00 13.93 O ATOM 0 H GLY A 47 2.060 3.380 10.400 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.643 5.005 11.075 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.901 5.767 12.027 1.00 11.68 H new ATOM 755 N LYS A 48 2.648 6.133 8.931 1.00 10.47 N ATOM 756 CA LYS A 48 2.978 7.101 7.927 1.00 8.82 C ATOM 757 C LYS A 48 1.881 7.072 6.875 1.00 7.68 C ATOM 758 O LYS A 48 1.650 6.042 6.283 1.00 6.47 O ATOM 759 CB LYS A 48 4.344 6.829 7.386 1.00 9.74 C ATOM 760 CG LYS A 48 5.009 8.025 6.686 1.00 14.14 C ATOM 761 CD LYS A 48 5.346 9.204 7.598 1.00 16.32 C ATOM 762 CE LYS A 48 6.559 8.933 8.516 1.00 20.04 C ATOM 763 NZ LYS A 48 7.833 8.713 7.866 1.00 23.92 N ATOM 0 H LYS A 48 3.082 5.223 8.774 1.00 10.47 H new ATOM 0 HA LYS A 48 3.021 8.111 8.334 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.985 6.502 8.205 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.282 6.001 6.680 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.926 7.682 6.207 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.348 8.376 5.894 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.550 10.082 6.986 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.478 9.439 8.213 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.666 9.778 9.196 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.334 8.059 9.127 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.579 8.627 8.585 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.790 7.838 7.305 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.046 9.515 7.240 1.00 23.92 H new ATOM 777 N GLN A 49 1.206 8.179 6.595 1.00 8.89 N ATOM 778 CA GLN A 49 0.167 8.223 5.590 1.00 7.18 C ATOM 779 C GLN A 49 0.670 8.174 4.179 1.00 8.23 C ATOM 780 O GLN A 49 1.115 9.205 3.701 1.00 9.70 O ATOM 781 CB GLN A 49 -0.762 9.481 5.748 1.00 11.67 C ATOM 782 CG GLN A 49 -1.997 9.251 6.563 1.00 15.82 C ATOM 783 CD GLN A 49 -2.809 10.508 6.649 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.604 10.835 5.743 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.765 11.205 7.846 1.00 20.67 N ATOM 0 H GLN A 49 1.368 9.071 7.063 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.405 7.313 5.770 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.186 10.285 6.206 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.057 9.824 4.756 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.593 8.456 6.115 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.723 8.919 7.564 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.110 10.925 8.576 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.388 11.998 7.997 1.00 20.67 H new ATOM 794 N LEU A 50 0.634 7.055 3.472 1.00 6.51 N ATOM 795 CA LEU A 50 1.284 6.976 2.164 1.00 7.41 C ATOM 796 C LEU A 50 0.616 7.658 1.003 1.00 8.27 C ATOM 797 O LEU A 50 -0.537 7.433 0.523 1.00 8.34 O ATOM 798 CB LEU A 50 1.641 5.559 1.800 1.00 7.13 C ATOM 799 CG LEU A 50 2.312 4.806 3.037 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.701 3.360 2.738 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.493 5.501 3.685 1.00 9.11 C ATOM 0 H LEU A 50 0.170 6.198 3.772 1.00 6.51 H new ATOM 0 HA LEU A 50 2.181 7.572 2.329 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.745 5.023 1.485 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.327 5.559 0.953 1.00 7.13 H new ATOM 0 HG LEU A 50 1.496 4.828 3.760 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.151 2.913 3.625 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.812 2.795 2.458 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.418 3.338 1.918 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.863 4.895 4.512 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.286 5.634 2.949 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.180 6.475 4.061 1.00 9.11 H new ATOM 813 N GLU A 51 1.353 8.629 0.400 1.00 9.43 N ATOM 814 CA GLU A 51 0.921 9.473 -0.694 1.00 11.90 C ATOM 815 C GLU A 51 1.114 8.667 -1.958 1.00 11.49 C ATOM 816 O GLU A 51 2.109 8.010 -2.122 1.00 9.88 O ATOM 817 CB GLU A 51 1.667 10.847 -0.688 1.00 16.56 C ATOM 818 CG GLU A 51 1.031 11.883 -1.605 1.00 26.06 C ATOM 819 CD GLU A 51 1.474 13.290 -1.261 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.241 13.888 -0.149 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.183 13.877 -2.132 1.00 33.44 O ATOM 0 H GLU A 51 2.307 8.836 0.694 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.130 9.749 -0.605 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.687 11.237 0.330 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.703 10.691 -0.991 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.294 11.662 -2.639 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.054 11.816 -1.531 1.00 26.06 H new ATOM 828 N ASP A 52 0.126 8.704 -2.877 1.00 12.71 N ATOM 829 CA ASP A 52 0.073 7.953 -4.175 1.00 16.56 C ATOM 830 C ASP A 52 1.326 8.133 -5.035 1.00 15.83 C ATOM 831 O ASP A 52 1.960 7.133 -5.339 1.00 17.21 O ATOM 832 CB ASP A 52 -1.204 8.443 -4.805 1.00 21.05 C ATOM 833 CG ASP A 52 -2.333 8.152 -3.887 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.747 6.965 -3.815 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.938 9.106 -3.370 1.00 28.37 O ATOM 0 H ASP A 52 -0.702 9.283 -2.739 1.00 12.71 H new ATOM 0 HA ASP A 52 0.066 6.871 -4.043 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.142 9.514 -4.999 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.363 7.953 -5.766 1.00 21.05 H new ATOM 840 N GLY A 53 1.801 9.393 -5.278 1.00 15.00 N ATOM 841 CA GLY A 53 2.957 9.730 -6.136 1.00 11.77 C ATOM 842 C GLY A 53 4.280 9.827 -5.474 1.00 11.10 C ATOM 843 O GLY A 53 5.111 10.476 -6.023 1.00 11.25 O ATOM 0 H GLY A 53 1.369 10.219 -4.864 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.026 8.978 -6.922 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.751 10.683 -6.623 1.00 11.77 H new ATOM 847 N ARG A 54 4.526 9.031 -4.379 1.00 8.53 N ATOM 848 CA ARG A 54 5.747 8.891 -3.661 1.00 9.05 C ATOM 849 C ARG A 54 6.332 7.470 -3.832 1.00 8.96 C ATOM 850 O ARG A 54 5.565 6.536 -3.944 1.00 11.60 O ATOM 851 CB ARG A 54 5.710 9.304 -2.165 1.00 7.97 C ATOM 852 CG ARG A 54 5.609 10.899 -2.060 1.00 9.62 C ATOM 853 CD ARG A 54 5.784 11.380 -0.633 1.00 12.20 C ATOM 854 NE ARG A 54 5.924 12.874 -0.696 1.00 18.23 N ATOM 855 CZ ARG A 54 7.021 13.586 -0.420 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.241 13.029 -0.257 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.911 14.853 -0.297 1.00 23.38 N ATOM 0 H ARG A 54 3.790 8.446 -3.983 1.00 8.53 H new ATOM 0 HA ARG A 54 6.411 9.623 -4.121 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.857 8.840 -1.669 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.606 8.950 -1.656 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.371 11.354 -2.693 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.641 11.228 -2.439 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.927 11.097 -0.021 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.665 10.928 -0.177 1.00 12.20 H new ATOM 0 HE ARG A 54 5.097 13.399 -0.979 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.356 12.019 -0.344 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.047 13.618 -0.047 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.001 15.299 -0.409 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.734 15.418 -0.086 1.00 23.38 H new ATOM 871 N THR A 55 7.658 7.208 -3.836 1.00 9.05 N ATOM 872 CA THR A 55 8.236 5.852 -3.955 1.00 9.03 C ATOM 873 C THR A 55 8.438 5.152 -2.650 1.00 8.15 C ATOM 874 O THR A 55 8.478 5.777 -1.600 1.00 5.91 O ATOM 875 CB THR A 55 9.544 5.711 -4.818 1.00 11.15 C ATOM 876 OG1 THR A 55 10.718 6.348 -4.258 1.00 11.95 O ATOM 877 CG2 THR A 55 9.206 6.185 -6.294 1.00 11.71 C ATOM 0 H THR A 55 8.364 7.940 -3.756 1.00 9.05 H new ATOM 0 HA THR A 55 7.442 5.357 -4.514 1.00 9.03 H new ATOM 0 HB THR A 55 9.840 4.662 -4.824 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.377 5.664 -4.016 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.096 6.098 -6.917 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.413 5.559 -6.705 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.876 7.224 -6.276 1.00 11.71 H new ATOM 885 N LEU A 56 8.561 3.800 -2.728 1.00 6.91 N ATOM 886 CA LEU A 56 8.756 2.994 -1.557 1.00 8.29 C ATOM 887 C LEU A 56 10.107 3.218 -0.864 1.00 8.05 C ATOM 888 O LEU A 56 10.165 3.194 0.399 1.00 10.17 O ATOM 889 CB LEU A 56 8.519 1.536 -1.874 1.00 6.60 C ATOM 890 CG LEU A 56 7.081 1.064 -2.295 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.182 -0.281 -3.053 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.968 0.900 -1.239 1.00 8.64 C ATOM 0 H LEU A 56 8.525 3.274 -3.601 1.00 6.91 H new ATOM 0 HA LEU A 56 8.012 3.320 -0.830 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.202 1.260 -2.677 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.809 0.959 -0.996 1.00 6.60 H new ATOM 0 HG LEU A 56 6.752 1.921 -2.882 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.185 -0.610 -3.346 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.797 -0.152 -3.943 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.635 -1.031 -2.405 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.051 0.567 -1.725 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.275 0.161 -0.499 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.791 1.856 -0.746 1.00 8.64 H new ATOM 904 N SER A 57 11.215 3.461 -1.625 1.00 8.92 N ATOM 905 CA SER A 57 12.435 3.896 -1.067 1.00 9.00 C ATOM 906 C SER A 57 12.292 5.268 -0.343 1.00 9.44 C ATOM 907 O SER A 57 13.040 5.524 0.582 1.00 10.91 O ATOM 908 CB SER A 57 13.575 4.030 -2.065 1.00 10.32 C ATOM 909 OG SER A 57 13.371 5.016 -3.142 1.00 13.59 O ATOM 0 H SER A 57 11.239 3.347 -2.638 1.00 8.92 H new ATOM 0 HA SER A 57 12.684 3.103 -0.362 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.481 4.297 -1.520 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.752 3.055 -2.519 1.00 10.32 H new ATOM 0 HG SER A 57 14.157 5.028 -3.727 1.00 13.59 H new ATOM 915 N ASP A 58 11.381 6.201 -0.797 1.00 9.11 N ATOM 916 CA ASP A 58 11.186 7.499 -0.183 1.00 7.91 C ATOM 917 C ASP A 58 10.698 7.302 1.266 1.00 9.12 C ATOM 918 O ASP A 58 11.121 8.028 2.134 1.00 8.61 O ATOM 919 CB ASP A 58 10.277 8.371 -1.069 1.00 8.41 C ATOM 920 CG ASP A 58 10.312 9.863 -0.772 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.450 10.469 -0.624 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.207 10.458 -0.759 1.00 10.05 O ATOM 0 H ASP A 58 10.777 6.039 -1.603 1.00 9.11 H new ATOM 0 HA ASP A 58 12.122 8.053 -0.111 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.559 8.219 -2.111 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.250 8.021 -0.962 1.00 8.41 H new ATOM 927 N TYR A 59 9.867 6.312 1.489 1.00 7.97 N ATOM 928 CA TYR A 59 9.292 6.018 2.813 1.00 8.45 C ATOM 929 C TYR A 59 10.094 5.023 3.593 1.00 10.98 C ATOM 930 O TYR A 59 9.669 4.605 4.636 1.00 12.95 O ATOM 931 CB TYR A 59 7.848 5.464 2.597 1.00 7.94 C ATOM 932 CG TYR A 59 6.917 6.604 2.361 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.745 7.569 3.329 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.219 6.652 1.128 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.759 8.591 3.050 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.209 7.539 0.970 1.00 6.52 C ATOM 937 CZ TYR A 59 5.024 8.536 1.902 1.00 6.76 C ATOM 938 OH TYR A 59 3.997 9.497 1.669 1.00 7.63 O ATOM 0 H TYR A 59 9.557 5.671 0.759 1.00 7.97 H new ATOM 0 HA TYR A 59 9.291 6.940 3.394 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.830 4.782 1.747 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.530 4.894 3.470 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.315 7.563 4.246 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.491 5.987 0.322 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.605 9.398 3.751 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.551 7.465 0.117 1.00 6.52 H new ATOM 0 HH TYR A 59 4.232 10.341 2.109 1.00 7.63 H new ATOM 948 N ASN A 60 11.322 4.706 3.081 1.00 12.38 N ATOM 949 CA ASN A 60 12.313 3.925 3.762 1.00 13.94 C ATOM 950 C ASN A 60 11.937 2.451 4.005 1.00 14.16 C ATOM 951 O ASN A 60 12.480 1.773 4.852 1.00 14.26 O ATOM 952 CB ASN A 60 12.830 4.700 5.009 1.00 19.23 C ATOM 953 CG ASN A 60 13.533 5.988 4.632 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.291 6.030 3.629 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.356 7.087 5.435 1.00 24.09 N ATOM 0 H ASN A 60 11.623 5.012 2.156 1.00 12.38 H new ATOM 0 HA ASN A 60 13.158 3.805 3.084 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.991 4.925 5.668 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.515 4.065 5.571 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.843 7.958 5.223 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.737 7.033 6.244 1.00 24.09 H new ATOM 962 N ILE A 61 11.145 1.846 3.096 1.00 11.08 N ATOM 963 CA ILE A 61 10.558 0.576 3.221 1.00 11.78 C ATOM 964 C ILE A 61 11.534 -0.505 2.764 1.00 13.74 C ATOM 965 O ILE A 61 12.106 -0.464 1.688 1.00 14.60 O ATOM 966 CB ILE A 61 9.212 0.401 2.523 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.182 1.495 3.032 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.558 -0.967 2.784 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.109 1.703 2.014 1.00 11.42 C ATOM 0 H ILE A 61 10.908 2.295 2.211 1.00 11.08 H new ATOM 0 HA ILE A 61 10.338 0.474 4.284 1.00 11.78 H new ATOM 0 HB ILE A 61 9.428 0.496 1.459 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.741 1.178 3.977 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.701 2.434 3.221 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.605 -1.021 2.257 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.216 -1.759 2.426 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.389 -1.091 3.854 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.407 2.456 2.373 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.555 2.040 1.079 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.580 0.765 1.846 1.00 11.42 H new ATOM 981 N GLN A 62 11.809 -1.569 3.552 1.00 13.97 N ATOM 982 CA GLN A 62 12.770 -2.627 3.202 1.00 15.52 C ATOM 983 C GLN A 62 12.103 -3.970 2.958 1.00 13.94 C ATOM 984 O GLN A 62 10.901 -4.076 3.164 1.00 12.15 O ATOM 985 CB GLN A 62 13.861 -2.782 4.281 1.00 19.53 C ATOM 986 CG GLN A 62 14.599 -1.418 4.565 1.00 26.38 C ATOM 987 CD GLN A 62 15.686 -1.628 5.596 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.672 -2.634 6.318 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.635 -0.694 5.672 1.00 32.71 N ATOM 0 H GLN A 62 11.362 -1.714 4.458 1.00 13.97 H new ATOM 0 HA GLN A 62 13.232 -2.308 2.268 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.411 -3.151 5.203 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.587 -3.529 3.959 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.030 -1.028 3.643 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.885 -0.675 4.922 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.603 0.117 5.055 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.393 -0.791 6.347 1.00 32.71 H new ATOM 998 N LYS A 63 12.875 -5.021 2.533 1.00 11.73 N ATOM 999 CA LYS A 63 12.301 -6.286 2.152 1.00 11.97 C ATOM 1000 C LYS A 63 11.582 -6.915 3.315 1.00 10.41 C ATOM 1001 O LYS A 63 12.073 -7.022 4.461 1.00 9.59 O ATOM 1002 CB LYS A 63 13.324 -7.224 1.463 1.00 13.73 C ATOM 1003 CG LYS A 63 14.398 -7.857 2.378 1.00 16.98 C ATOM 1004 CD LYS A 63 14.097 -9.372 2.615 1.00 20.19 C ATOM 1005 CE LYS A 63 14.610 -10.359 1.564 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.979 -11.705 1.716 1.00 25.97 N ATOM 0 H LYS A 63 13.892 -4.983 2.458 1.00 11.73 H new ATOM 0 HA LYS A 63 11.549 -6.098 1.385 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.775 -8.028 0.973 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.831 -6.661 0.679 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.383 -7.743 1.924 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.425 -7.332 3.333 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.521 -9.654 3.579 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.017 -9.494 2.694 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.402 -9.970 0.567 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.693 -10.453 1.650 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.351 -12.347 0.987 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.198 -12.087 2.658 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 12.948 -11.619 1.609 1.00 25.97 H new ATOM 1020 N GLU A 64 10.363 -7.426 3.007 1.00 10.04 N ATOM 1021 CA GLU A 64 9.462 -8.121 3.933 1.00 10.94 C ATOM 1022 C GLU A 64 9.006 -7.363 5.163 1.00 9.74 C ATOM 1023 O GLU A 64 8.616 -7.895 6.230 1.00 9.42 O ATOM 1024 CB GLU A 64 10.027 -9.509 4.306 1.00 18.31 C ATOM 1025 CG GLU A 64 10.253 -10.508 3.173 1.00 24.16 C ATOM 1026 CD GLU A 64 10.615 -11.944 3.611 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.617 -12.129 4.292 1.00 31.72 O ATOM 1028 OE2 GLU A 64 9.806 -12.796 3.237 1.00 32.61 O ATOM 0 H GLU A 64 9.975 -7.357 2.066 1.00 10.04 H new ATOM 0 HA GLU A 64 8.540 -8.223 3.360 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.979 -9.358 4.816 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.348 -9.966 5.026 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.350 -10.550 2.564 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.051 -10.130 2.534 1.00 24.16 H new ATOM 1035 N SER A 65 8.968 -6.045 4.990 1.00 6.85 N ATOM 1036 CA SER A 65 8.136 -5.168 5.850 1.00 6.90 C ATOM 1037 C SER A 65 6.583 -5.376 5.895 1.00 4.72 C ATOM 1038 O SER A 65 5.992 -5.790 4.912 1.00 3.91 O ATOM 1039 CB SER A 65 8.249 -3.676 5.322 1.00 7.28 C ATOM 1040 OG SER A 65 9.672 -3.374 5.322 1.00 10.56 O ATOM 0 H SER A 65 9.495 -5.550 4.270 1.00 6.85 H new ATOM 0 HA SER A 65 8.536 -5.409 6.835 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.827 -3.580 4.322 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.701 -2.988 5.966 1.00 7.28 H new ATOM 0 HG SER A 65 10.037 -3.520 4.424 1.00 10.56 H new ATOM 1046 N THR A 66 5.964 -5.039 7.090 1.00 4.48 N ATOM 1047 CA THR A 66 4.499 -5.150 7.239 1.00 3.80 C ATOM 1048 C THR A 66 3.877 -3.803 7.197 1.00 4.60 C ATOM 1049 O THR A 66 4.094 -2.932 8.029 1.00 5.33 O ATOM 1050 CB THR A 66 4.147 -5.797 8.573 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.784 -6.998 8.833 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.663 -6.174 8.658 1.00 3.40 C ATOM 0 H THR A 66 6.455 -4.704 7.919 1.00 4.48 H new ATOM 0 HA THR A 66 4.123 -5.763 6.420 1.00 3.80 H new ATOM 0 HB THR A 66 4.456 -5.027 9.280 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.499 -7.337 9.708 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.459 -6.632 9.626 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.053 -5.278 8.544 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.421 -6.881 7.864 1.00 3.40 H new ATOM 1060 N LEU A 67 3.116 -3.631 6.166 1.00 4.17 N ATOM 1061 CA LEU A 67 2.424 -2.408 5.796 1.00 3.85 C ATOM 1062 C LEU A 67 0.935 -2.613 6.176 1.00 3.80 C ATOM 1063 O LEU A 67 0.461 -3.736 6.236 1.00 5.54 O ATOM 1064 CB LEU A 67 2.777 -2.005 4.377 1.00 7.18 C ATOM 1065 CG LEU A 67 4.283 -1.701 4.064 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.969 -2.942 3.439 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.555 -0.481 3.209 1.00 11.66 C ATOM 0 H LEU A 67 2.940 -4.386 5.504 1.00 4.17 H new ATOM 0 HA LEU A 67 2.740 -1.519 6.343 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.449 -2.802 3.710 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.195 -1.118 4.125 1.00 7.18 H new ATOM 0 HG LEU A 67 4.711 -1.461 5.037 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.014 -2.713 3.228 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.914 -3.778 4.137 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.462 -3.210 2.512 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.629 -0.373 3.060 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.065 -0.597 2.242 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.167 0.407 3.708 1.00 11.66 H new ATOM 1079 N HIS A 68 0.190 -1.493 6.383 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.191 -1.557 6.837 1.00 4.17 C ATOM 1081 C HIS A 68 -2.089 -0.964 5.750 1.00 5.32 C ATOM 1082 O HIS A 68 -1.822 0.034 5.133 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.442 -0.900 8.227 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.836 -1.596 9.383 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.323 -1.197 9.969 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.138 -2.797 10.020 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.678 -2.066 10.941 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.216 -3.015 11.022 1.00 16.30 N ATOM 0 H HIS A 68 0.539 -0.546 6.238 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.438 -2.606 6.997 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.061 0.121 8.200 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.518 -0.835 8.389 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.960 -3.451 9.770 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.563 -1.988 11.555 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.230 -3.776 11.701 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.247 -1.609 5.485 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.210 -1.090 4.567 1.00 3.97 C ATOM 1098 C LEU A 69 -5.458 -0.778 5.307 1.00 5.07 C ATOM 1099 O LEU A 69 -5.794 -1.551 6.201 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.485 -2.114 3.382 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.497 -1.719 2.331 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.103 -2.245 0.926 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.885 -2.210 2.706 1.00 9.96 C ATOM 0 H LEU A 69 -3.512 -2.496 5.913 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.822 -0.178 4.114 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.537 -2.307 2.879 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.810 -3.057 3.822 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.509 -0.630 2.288 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.856 -1.940 0.199 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.135 -1.832 0.641 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.041 -3.333 0.949 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.596 -1.914 1.935 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.875 -3.296 2.793 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.180 -1.772 3.660 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.055 0.342 5.030 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.330 0.727 5.666 1.00 6.26 C ATOM 1117 C VAL A 70 -8.260 0.974 4.564 1.00 9.22 C ATOM 1118 O VAL A 70 -8.054 1.901 3.742 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.176 1.989 6.502 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.515 2.514 6.970 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.189 1.811 7.741 1.00 8.54 C ATOM 0 H VAL A 70 -5.695 1.027 4.365 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.680 -0.055 6.340 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.722 2.724 5.837 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.365 3.416 7.564 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.136 2.748 6.106 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.010 1.757 7.578 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.126 2.749 8.293 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.567 1.028 8.398 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.198 1.535 7.380 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.286 0.180 4.436 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.303 0.387 3.382 1.00 16.06 C ATOM 1133 C LEU A 71 -11.030 1.708 3.518 1.00 18.09 C ATOM 1134 O LEU A 71 -11.323 2.151 4.648 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.303 -0.749 3.443 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.273 -0.782 2.225 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.652 -1.236 0.897 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.447 -1.681 2.607 1.00 19.57 C ATOM 0 H LEU A 71 -9.461 -0.625 5.038 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.787 0.407 2.422 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.765 -1.695 3.496 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.885 -0.662 4.360 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.581 0.245 2.027 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.413 -1.223 0.116 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.841 -0.561 0.625 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.261 -2.248 1.005 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.152 -1.731 1.777 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.080 -2.682 2.832 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.948 -1.272 3.485 1.00 19.57 H new