USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -66:sc= 1.29 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 0.179 USER MOD Set 2.1: A 22 THR OG1 : rot -63:sc= 1.02 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.36 K(o=2.4,f=-6.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 147:sc= 2.44 (180deg=1.16) USER MOD Set 4.2: A 12 THR OG1 : rot 120:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.27 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.22 (180deg=-0.18!) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.0779 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.74 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00575 K(o=-0.0058,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= 0.996 K(o=1,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.625 USER MOD Single : A 60 ASN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0.919) USER MOD Single : A 65 SER OG : rot 86:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.923 -7.238 -5.122 1.00 9.67 N ATOM 2 CA MET A 1 11.707 -7.147 -3.638 1.00 10.38 C ATOM 3 C MET A 1 10.354 -7.647 -3.291 1.00 9.62 C ATOM 4 O MET A 1 9.496 -7.618 -4.114 1.00 9.62 O ATOM 5 CB MET A 1 12.003 -5.663 -3.144 1.00 13.77 C ATOM 6 CG MET A 1 12.045 -5.427 -1.603 1.00 16.29 C ATOM 7 SD MET A 1 12.505 -3.758 -1.134 1.00 17.17 S ATOM 8 CE MET A 1 11.010 -2.865 -1.388 1.00 16.11 C ATOM 0 H1 MET A 1 12.853 -6.839 -5.363 1.00 9.67 H new ATOM 0 H2 MET A 1 11.887 -8.234 -5.418 1.00 9.67 H new ATOM 0 H3 MET A 1 11.179 -6.704 -5.615 1.00 9.67 H new ATOM 0 HA MET A 1 12.407 -7.790 -3.105 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.961 -5.351 -3.561 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.242 -5.007 -3.567 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.065 -5.654 -1.184 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.752 -6.127 -1.158 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.164 -1.817 -1.132 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.712 -2.944 -2.434 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.226 -3.281 -0.755 1.00 16.11 H new ATOM 20 N GLN A 2 10.080 -8.040 -2.001 1.00 9.27 N ATOM 21 CA GLN A 2 8.753 -8.533 -1.651 1.00 9.07 C ATOM 22 C GLN A 2 8.362 -7.861 -0.396 1.00 8.72 C ATOM 23 O GLN A 2 9.226 -7.732 0.506 1.00 8.22 O ATOM 24 CB GLN A 2 8.854 -10.018 -1.413 1.00 14.46 C ATOM 25 CG GLN A 2 7.520 -10.698 -0.857 1.00 17.01 C ATOM 26 CD GLN A 2 7.730 -12.212 -0.788 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.746 -12.814 0.261 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.005 -12.821 -1.961 1.00 19.49 N ATOM 0 H GLN A 2 10.750 -8.017 -1.232 1.00 9.27 H new ATOM 0 HA GLN A 2 8.024 -8.337 -2.437 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.130 -10.504 -2.349 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.662 -10.205 -0.706 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.280 -10.305 0.131 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.677 -10.463 -1.507 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.984 -12.287 -2.830 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.234 -13.815 -1.978 1.00 19.49 H new ATOM 37 N ILE A 3 7.097 -7.450 -0.261 1.00 5.87 N ATOM 38 CA ILE A 3 6.532 -6.814 0.901 1.00 5.07 C ATOM 39 C ILE A 3 5.221 -7.454 1.174 1.00 4.01 C ATOM 40 O ILE A 3 4.563 -8.028 0.286 1.00 4.61 O ATOM 41 CB ILE A 3 6.412 -5.275 0.778 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.613 -4.851 -0.502 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.820 -4.624 0.810 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.259 -3.321 -0.543 1.00 10.83 C ATOM 0 H ILE A 3 6.414 -7.565 -1.010 1.00 5.87 H new ATOM 0 HA ILE A 3 7.212 -6.959 1.741 1.00 5.07 H new ATOM 0 HB ILE A 3 5.844 -4.912 1.635 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.198 -5.104 -1.386 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.691 -5.430 -0.553 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.723 -3.542 0.723 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.313 -4.869 1.751 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.415 -5.003 -0.021 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.707 -3.100 -1.456 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.647 -3.066 0.322 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.177 -2.734 -0.523 1.00 10.83 H new ATOM 56 N PHE A 4 4.752 -7.325 2.415 1.00 4.55 N ATOM 57 CA PHE A 4 3.406 -7.738 2.849 1.00 4.68 C ATOM 58 C PHE A 4 2.496 -6.516 2.995 1.00 5.30 C ATOM 59 O PHE A 4 2.875 -5.436 3.394 1.00 5.58 O ATOM 60 CB PHE A 4 3.553 -8.405 4.175 1.00 4.83 C ATOM 61 CG PHE A 4 4.548 -9.593 4.043 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.339 -10.651 3.144 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.689 -9.608 4.902 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.224 -11.724 3.051 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.558 -10.685 4.777 1.00 10.61 C ATOM 66 CZ PHE A 4 6.390 -11.714 3.830 1.00 8.90 C ATOM 0 H PHE A 4 5.307 -6.921 3.169 1.00 4.55 H new ATOM 0 HA PHE A 4 2.962 -8.410 2.115 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.915 -7.692 4.916 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.585 -8.763 4.525 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.468 -10.633 2.506 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.868 -8.818 5.616 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.015 -12.551 2.389 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.408 -10.736 5.442 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.143 -12.479 3.707 1.00 8.90 H new ATOM 76 N VAL A 5 1.231 -6.720 2.649 1.00 4.44 N ATOM 77 CA VAL A 5 0.192 -5.794 2.972 1.00 3.87 C ATOM 78 C VAL A 5 -0.680 -6.532 3.994 1.00 4.93 C ATOM 79 O VAL A 5 -0.849 -7.748 3.904 1.00 6.84 O ATOM 80 CB VAL A 5 -0.538 -5.356 1.723 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.898 -4.846 1.996 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.260 -4.345 0.938 1.00 9.13 C ATOM 0 H VAL A 5 0.912 -7.541 2.135 1.00 4.44 H new ATOM 0 HA VAL A 5 0.553 -4.859 3.401 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.652 -6.254 1.116 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.370 -4.548 1.060 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.492 -5.628 2.468 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.837 -3.985 2.662 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.297 -4.054 0.047 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.441 -3.466 1.556 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.213 -4.784 0.643 1.00 9.13 H new ATOM 92 N LYS A 6 -1.165 -5.831 5.017 1.00 6.04 N ATOM 93 CA LYS A 6 -1.928 -6.342 6.184 1.00 6.12 C ATOM 94 C LYS A 6 -3.323 -5.650 6.264 1.00 6.57 C ATOM 95 O LYS A 6 -3.472 -4.414 6.423 1.00 5.76 O ATOM 96 CB LYS A 6 -1.093 -6.209 7.456 1.00 7.45 C ATOM 97 CG LYS A 6 -1.483 -7.259 8.548 1.00 11.12 C ATOM 98 CD LYS A 6 -1.383 -8.738 8.029 1.00 14.54 C ATOM 99 CE LYS A 6 -1.411 -9.742 9.180 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.533 -11.082 8.730 1.00 20.55 N ATOM 0 H LYS A 6 -1.033 -4.821 5.068 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.130 -7.406 6.064 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.038 -6.325 7.207 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.216 -5.205 7.863 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.831 -7.137 9.413 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.501 -7.065 8.886 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.209 -8.942 7.348 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.462 -8.863 7.459 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.499 -9.641 9.768 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.244 -9.507 9.842 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.018 -11.713 9.376 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.537 -11.351 8.710 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.133 -11.165 7.773 1.00 20.55 H new ATOM 114 N THR A 7 -4.425 -6.386 6.012 1.00 7.41 N ATOM 115 CA THR A 7 -5.780 -5.870 6.173 1.00 7.48 C ATOM 116 C THR A 7 -6.217 -5.730 7.594 1.00 8.75 C ATOM 117 O THR A 7 -5.587 -6.265 8.509 1.00 8.58 O ATOM 118 CB THR A 7 -6.896 -6.470 5.313 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.358 -7.731 5.786 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.422 -6.535 3.855 1.00 9.17 C ATOM 0 H THR A 7 -4.389 -7.354 5.692 1.00 7.41 H new ATOM 0 HA THR A 7 -5.639 -4.877 5.747 1.00 7.48 H new ATOM 0 HB THR A 7 -7.766 -5.816 5.382 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.069 -8.060 5.198 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.211 -6.961 3.235 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.187 -5.530 3.504 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.531 -7.160 3.790 1.00 9.17 H new ATOM 128 N LEU A 8 -7.277 -4.962 7.846 1.00 9.84 N ATOM 129 CA LEU A 8 -7.847 -4.676 9.139 1.00 14.15 C ATOM 130 C LEU A 8 -8.215 -5.935 9.926 1.00 17.37 C ATOM 131 O LEU A 8 -7.902 -6.106 11.127 1.00 17.01 O ATOM 132 CB LEU A 8 -9.147 -3.788 8.913 1.00 16.63 C ATOM 133 CG LEU A 8 -9.447 -2.676 10.052 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.959 -3.249 11.361 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.258 -1.740 10.263 1.00 18.59 C ATOM 0 H LEU A 8 -7.786 -4.498 7.094 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.098 -4.152 9.732 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.056 -3.281 7.952 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.009 -4.451 8.843 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.272 -2.081 9.660 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.135 -2.439 12.069 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.892 -3.785 11.184 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.219 -3.936 11.772 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.502 -1.010 11.035 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.389 -2.320 10.574 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.034 -1.221 9.331 1.00 18.59 H new ATOM 147 N THR A 9 -8.860 -6.942 9.220 1.00 18.33 N ATOM 148 CA THR A 9 -9.210 -8.223 9.732 1.00 19.24 C ATOM 149 C THR A 9 -8.110 -9.280 9.497 1.00 19.48 C ATOM 150 O THR A 9 -8.316 -10.521 9.617 1.00 23.14 O ATOM 151 CB THR A 9 -10.500 -8.668 9.133 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.521 -8.770 7.708 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.572 -7.612 9.462 1.00 19.70 C ATOM 0 H THR A 9 -9.137 -6.823 8.246 1.00 18.33 H new ATOM 0 HA THR A 9 -9.320 -8.125 10.812 1.00 19.24 H new ATOM 0 HB THR A 9 -10.669 -9.661 9.549 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.407 -9.070 7.414 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.527 -7.917 9.033 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.673 -7.521 10.543 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.276 -6.650 9.043 1.00 19.70 H new ATOM 161 N GLY A 10 -6.851 -8.856 9.104 1.00 19.43 N ATOM 162 CA GLY A 10 -5.600 -9.554 9.229 1.00 18.74 C ATOM 163 C GLY A 10 -5.152 -10.456 8.141 1.00 17.62 C ATOM 164 O GLY A 10 -4.148 -11.184 8.278 1.00 19.74 O ATOM 0 H GLY A 10 -6.724 -7.944 8.664 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.822 -8.805 9.372 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.646 -10.145 10.144 1.00 18.74 H new ATOM 168 N LYS A 11 -5.785 -10.489 6.932 1.00 13.56 N ATOM 169 CA LYS A 11 -5.217 -11.197 5.812 1.00 11.91 C ATOM 170 C LYS A 11 -3.956 -10.548 5.336 1.00 10.18 C ATOM 171 O LYS A 11 -4.039 -9.396 4.982 1.00 9.10 O ATOM 172 CB LYS A 11 -6.156 -11.270 4.625 1.00 13.43 C ATOM 173 CG LYS A 11 -5.724 -12.158 3.432 1.00 16.69 C ATOM 174 CD LYS A 11 -6.909 -12.313 2.380 1.00 17.92 C ATOM 175 CE LYS A 11 -7.145 -11.077 1.535 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.174 -11.388 0.557 1.00 21.93 N ATOM 0 H LYS A 11 -6.676 -10.031 6.738 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.021 -12.203 6.184 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.122 -11.629 4.980 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.310 -10.257 4.253 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.854 -11.719 2.944 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.424 -13.141 3.795 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.690 -13.154 1.723 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.827 -12.556 2.915 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.456 -10.241 2.162 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.224 -10.776 1.036 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.639 -10.510 0.251 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.741 -11.855 -0.266 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.879 -12.022 0.984 1.00 21.93 H new ATOM 190 N THR A 12 -2.894 -11.336 5.170 1.00 9.63 N ATOM 191 CA THR A 12 -1.664 -10.902 4.471 1.00 9.85 C ATOM 192 C THR A 12 -1.930 -10.946 2.982 1.00 11.66 C ATOM 193 O THR A 12 -2.385 -11.952 2.407 1.00 12.33 O ATOM 194 CB THR A 12 -0.398 -11.686 4.891 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.304 -11.586 6.259 1.00 10.91 O ATOM 196 CG2 THR A 12 0.825 -10.936 4.385 1.00 9.63 C ATOM 0 H THR A 12 -2.853 -12.296 5.513 1.00 9.63 H new ATOM 0 HA THR A 12 -1.431 -9.879 4.767 1.00 9.85 H new ATOM 0 HB THR A 12 -0.450 -12.709 4.518 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.336 -12.482 6.655 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.727 -11.475 4.673 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.780 -10.857 3.299 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.845 -9.937 4.821 1.00 9.63 H new ATOM 204 N ILE A 13 -1.587 -9.881 2.195 1.00 10.42 N ATOM 205 CA ILE A 13 -1.463 -9.937 0.792 1.00 11.84 C ATOM 206 C ILE A 13 0.037 -9.873 0.490 1.00 10.55 C ATOM 207 O ILE A 13 0.665 -8.865 0.715 1.00 11.92 O ATOM 208 CB ILE A 13 -2.190 -8.784 0.101 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.681 -8.608 0.631 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.223 -9.106 -1.439 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.303 -7.302 0.165 1.00 16.46 C ATOM 0 H ILE A 13 -1.394 -8.955 2.578 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.918 -10.852 0.413 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.662 -7.854 0.313 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.290 -9.443 0.284 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.684 -8.642 1.720 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.736 -8.303 -1.968 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.203 -9.194 -1.814 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.753 -10.044 -1.603 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.320 -7.225 0.550 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.711 -6.465 0.534 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.325 -7.278 -0.925 1.00 16.46 H new ATOM 223 N THR A 14 0.651 -10.940 0.129 1.00 9.39 N ATOM 224 CA THR A 14 2.070 -10.808 -0.308 1.00 9.63 C ATOM 225 C THR A 14 2.182 -10.071 -1.625 1.00 11.20 C ATOM 226 O THR A 14 1.534 -10.440 -2.611 1.00 11.63 O ATOM 227 CB THR A 14 2.863 -12.132 -0.406 1.00 10.38 C ATOM 228 OG1 THR A 14 2.711 -12.882 0.793 1.00 16.30 O ATOM 229 CG2 THR A 14 4.318 -11.883 -0.620 1.00 11.66 C ATOM 0 H THR A 14 0.258 -11.881 0.112 1.00 9.39 H new ATOM 0 HA THR A 14 2.529 -10.233 0.496 1.00 9.63 H new ATOM 0 HB THR A 14 2.466 -12.685 -1.257 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.236 -12.466 1.508 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.845 -12.835 -0.684 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.460 -11.327 -1.547 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.715 -11.305 0.214 1.00 11.66 H new ATOM 237 N LEU A 15 3.108 -9.090 -1.762 1.00 8.29 N ATOM 238 CA LEU A 15 3.239 -8.345 -3.039 1.00 9.03 C ATOM 239 C LEU A 15 4.700 -8.284 -3.382 1.00 8.59 C ATOM 240 O LEU A 15 5.655 -7.944 -2.676 1.00 7.79 O ATOM 241 CB LEU A 15 2.710 -6.863 -2.834 1.00 11.08 C ATOM 242 CG LEU A 15 1.266 -6.746 -2.387 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.857 -5.215 -2.313 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.306 -7.269 -3.390 1.00 15.27 C ATOM 0 H LEU A 15 3.757 -8.802 -1.029 1.00 8.29 H new ATOM 0 HA LEU A 15 2.668 -8.835 -3.828 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.342 -6.368 -2.097 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.828 -6.320 -3.772 1.00 11.08 H new ATOM 0 HG LEU A 15 1.218 -7.292 -1.445 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.181 -5.131 -1.992 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.501 -4.701 -1.599 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.970 -4.760 -3.297 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.711 -7.158 -3.013 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.411 -6.711 -4.320 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.511 -8.323 -3.575 1.00 15.27 H new ATOM 256 N GLU A 16 5.048 -8.605 -4.602 1.00 11.04 N ATOM 257 CA GLU A 16 6.350 -8.376 -5.183 1.00 11.50 C ATOM 258 C GLU A 16 6.393 -6.985 -5.775 1.00 10.13 C ATOM 259 O GLU A 16 5.465 -6.578 -6.446 1.00 9.83 O ATOM 260 CB GLU A 16 6.590 -9.351 -6.303 1.00 17.22 C ATOM 261 CG GLU A 16 8.029 -9.223 -6.854 1.00 23.33 C ATOM 262 CD GLU A 16 8.176 -10.470 -7.793 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.419 -11.544 -7.247 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.924 -10.351 -9.013 1.00 28.86 O ATOM 0 H GLU A 16 4.401 -9.055 -5.250 1.00 11.04 H new ATOM 0 HA GLU A 16 7.105 -8.496 -4.406 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.423 -10.367 -5.946 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.873 -9.172 -7.105 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.167 -8.290 -7.401 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.768 -9.235 -6.053 1.00 23.33 H new ATOM 271 N VAL A 17 7.442 -6.229 -5.509 1.00 8.99 N ATOM 272 CA VAL A 17 7.724 -4.871 -6.003 1.00 8.85 C ATOM 273 C VAL A 17 9.167 -4.693 -6.387 1.00 8.04 C ATOM 274 O VAL A 17 10.022 -5.521 -6.110 1.00 8.99 O ATOM 275 CB VAL A 17 7.370 -3.748 -5.000 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.852 -3.679 -4.639 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.097 -4.095 -3.605 1.00 10.54 C ATOM 0 H VAL A 17 8.184 -6.564 -4.895 1.00 8.99 H new ATOM 0 HA VAL A 17 7.078 -4.778 -6.876 1.00 8.85 H new ATOM 0 HB VAL A 17 7.674 -2.812 -5.468 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.683 -2.867 -3.931 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.271 -3.499 -5.543 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.542 -4.622 -4.190 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.868 -3.321 -2.873 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.741 -5.058 -3.239 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.175 -4.142 -3.758 1.00 10.54 H new ATOM 287 N GLU A 18 9.395 -3.586 -7.057 1.00 7.29 N ATOM 288 CA GLU A 18 10.703 -2.943 -7.137 1.00 7.08 C ATOM 289 C GLU A 18 10.705 -1.728 -6.175 1.00 6.45 C ATOM 290 O GLU A 18 9.701 -1.048 -6.092 1.00 5.28 O ATOM 291 CB GLU A 18 10.900 -2.438 -8.545 1.00 10.28 C ATOM 292 CG GLU A 18 12.280 -1.762 -8.976 1.00 12.65 C ATOM 293 CD GLU A 18 13.551 -2.636 -9.089 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.538 -3.541 -9.910 1.00 18.17 O ATOM 295 OE2 GLU A 18 14.587 -2.411 -8.345 1.00 14.33 O ATOM 0 H GLU A 18 8.668 -3.092 -7.574 1.00 7.29 H new ATOM 0 HA GLU A 18 11.494 -3.645 -6.870 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.731 -3.280 -9.216 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.111 -1.712 -8.740 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.123 -1.286 -9.944 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.492 -0.967 -8.261 1.00 12.65 H new ATOM 302 N PRO A 19 11.769 -1.364 -5.436 1.00 7.24 N ATOM 303 CA PRO A 19 11.845 -0.176 -4.663 1.00 7.07 C ATOM 304 C PRO A 19 11.539 1.120 -5.303 1.00 6.65 C ATOM 305 O PRO A 19 11.279 2.074 -4.574 1.00 6.37 O ATOM 306 CB PRO A 19 13.224 -0.105 -4.211 1.00 7.61 C ATOM 307 CG PRO A 19 13.738 -1.513 -4.110 1.00 8.16 C ATOM 308 CD PRO A 19 12.934 -2.222 -5.203 1.00 7.49 C ATOM 0 HA PRO A 19 11.065 -0.277 -3.908 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.827 0.474 -4.910 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.286 0.396 -3.245 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.811 -1.570 -4.291 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.557 -1.944 -3.125 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.524 -2.341 -6.112 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.632 -3.220 -4.886 1.00 7.49 H new ATOM 316 N SER A 20 11.600 1.156 -6.638 1.00 6.80 N ATOM 317 CA SER A 20 11.283 2.383 -7.460 1.00 6.28 C ATOM 318 C SER A 20 9.890 2.376 -8.022 1.00 8.45 C ATOM 319 O SER A 20 9.492 3.220 -8.827 1.00 7.26 O ATOM 320 CB SER A 20 12.151 2.489 -8.720 1.00 8.57 C ATOM 321 OG SER A 20 13.524 2.444 -8.353 1.00 11.13 O ATOM 0 H SER A 20 11.868 0.349 -7.202 1.00 6.80 H new ATOM 0 HA SER A 20 11.448 3.195 -6.752 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.919 1.673 -9.404 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.934 3.418 -9.247 1.00 8.57 H new ATOM 0 HG SER A 20 14.080 2.510 -9.157 1.00 11.13 H new ATOM 327 N ASP A 21 9.133 1.309 -7.664 1.00 7.50 N ATOM 328 CA ASP A 21 7.640 1.486 -7.712 1.00 7.70 C ATOM 329 C ASP A 21 7.010 2.524 -6.737 1.00 7.08 C ATOM 330 O ASP A 21 7.483 2.792 -5.619 1.00 8.11 O ATOM 331 CB ASP A 21 6.922 0.079 -7.503 1.00 11.00 C ATOM 332 CG ASP A 21 7.179 -0.775 -8.754 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.764 -0.390 -9.869 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.678 -1.897 -8.515 1.00 14.36 O ATOM 0 H ASP A 21 9.476 0.396 -7.365 1.00 7.50 H new ATOM 0 HA ASP A 21 7.467 1.906 -8.703 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.311 -0.419 -6.615 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.852 0.216 -7.349 1.00 11.00 H new ATOM 339 N THR A 22 5.940 3.158 -7.110 1.00 5.37 N ATOM 340 CA THR A 22 5.267 4.225 -6.350 1.00 6.01 C ATOM 341 C THR A 22 4.241 3.533 -5.496 1.00 8.01 C ATOM 342 O THR A 22 3.861 2.371 -5.705 1.00 8.11 O ATOM 343 CB THR A 22 4.575 5.305 -7.195 1.00 8.92 C ATOM 344 OG1 THR A 22 3.473 4.906 -8.016 1.00 10.22 O ATOM 345 CG2 THR A 22 5.631 5.932 -8.052 1.00 9.65 C ATOM 0 H THR A 22 5.472 2.952 -7.992 1.00 5.37 H new ATOM 0 HA THR A 22 6.028 4.767 -5.789 1.00 6.01 H new ATOM 0 HB THR A 22 4.111 5.983 -6.478 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.782 4.265 -8.689 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.183 6.708 -8.672 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.400 6.373 -7.418 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.080 5.172 -8.691 1.00 9.65 H new ATOM 353 N ILE A 23 3.665 4.243 -4.446 1.00 8.32 N ATOM 354 CA ILE A 23 2.565 3.767 -3.613 1.00 9.92 C ATOM 355 C ILE A 23 1.312 3.561 -4.466 1.00 10.01 C ATOM 356 O ILE A 23 0.576 2.590 -4.251 1.00 8.71 O ATOM 357 CB ILE A 23 2.257 4.776 -2.492 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.392 5.079 -1.556 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.076 4.182 -1.638 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.925 3.959 -0.684 1.00 12.30 C ATOM 0 H ILE A 23 3.985 5.174 -4.181 1.00 8.32 H new ATOM 0 HA ILE A 23 2.862 2.819 -3.165 1.00 9.92 H new ATOM 0 HB ILE A 23 2.024 5.718 -2.988 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.222 5.459 -2.152 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.074 5.889 -0.899 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.828 4.871 -0.831 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.203 4.040 -2.274 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.378 3.223 -1.217 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.740 4.335 -0.066 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.126 3.586 -0.043 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.292 3.150 -1.315 1.00 12.30 H new ATOM 372 N GLU A 24 1.075 4.337 -5.530 1.00 9.54 N ATOM 373 CA GLU A 24 -0.044 4.271 -6.485 1.00 11.81 C ATOM 374 C GLU A 24 0.081 2.871 -7.196 1.00 11.14 C ATOM 375 O GLU A 24 -0.891 2.128 -7.381 1.00 10.62 O ATOM 376 CB GLU A 24 -0.084 5.364 -7.578 1.00 19.24 C ATOM 377 CG GLU A 24 -1.287 5.141 -8.568 1.00 27.76 C ATOM 378 CD GLU A 24 -1.444 6.338 -9.437 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.752 6.449 -10.484 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.327 7.245 -9.204 1.00 36.51 O ATOM 0 H GLU A 24 1.716 5.094 -5.768 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.958 4.425 -5.912 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.172 6.345 -7.111 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.853 5.359 -8.135 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.110 4.256 -9.179 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.205 4.963 -8.007 1.00 27.76 H new ATOM 387 N ASN A 25 1.332 2.512 -7.523 1.00 9.43 N ATOM 388 CA ASN A 25 1.575 1.164 -7.989 1.00 10.96 C ATOM 389 C ASN A 25 1.339 0.085 -6.950 1.00 9.68 C ATOM 390 O ASN A 25 0.752 -0.920 -7.274 1.00 9.33 O ATOM 391 CB ASN A 25 3.062 1.049 -8.563 1.00 16.78 C ATOM 392 CG ASN A 25 3.351 2.101 -9.665 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.329 2.836 -9.578 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.626 2.023 -10.793 1.00 24.70 N ATOM 0 H ASN A 25 2.152 3.117 -7.473 1.00 9.43 H new ATOM 0 HA ASN A 25 0.840 0.985 -8.774 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.774 1.175 -7.748 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.216 0.049 -8.969 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.884 2.584 -11.605 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.817 1.403 -10.838 1.00 24.70 H new ATOM 401 N VAL A 26 1.650 0.239 -5.645 1.00 6.52 N ATOM 402 CA VAL A 26 1.256 -0.700 -4.650 1.00 5.53 C ATOM 403 C VAL A 26 -0.255 -0.931 -4.587 1.00 4.42 C ATOM 404 O VAL A 26 -0.768 -2.048 -4.521 1.00 3.40 O ATOM 405 CB VAL A 26 1.844 -0.477 -3.281 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.222 -1.382 -2.262 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.422 -0.656 -3.453 1.00 8.12 C ATOM 0 H VAL A 26 2.183 1.029 -5.282 1.00 6.52 H new ATOM 0 HA VAL A 26 1.708 -1.626 -5.004 1.00 5.53 H new ATOM 0 HB VAL A 26 1.634 0.520 -2.893 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.670 -1.194 -1.286 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.150 -1.191 -2.212 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.393 -2.421 -2.545 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.912 -0.506 -2.491 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.637 -1.661 -3.817 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.795 0.077 -4.168 1.00 8.12 H new ATOM 417 N LYS A 27 -1.050 0.123 -4.725 1.00 2.64 N ATOM 418 CA LYS A 27 -2.531 0.059 -4.802 1.00 4.14 C ATOM 419 C LYS A 27 -3.075 -0.633 -6.014 1.00 5.58 C ATOM 420 O LYS A 27 -4.158 -1.257 -5.996 1.00 4.11 O ATOM 421 CB LYS A 27 -3.153 1.487 -4.691 1.00 3.97 C ATOM 422 CG LYS A 27 -2.756 2.195 -3.416 1.00 7.45 C ATOM 423 CD LYS A 27 -3.357 3.580 -3.164 1.00 9.02 C ATOM 424 CE LYS A 27 -3.085 4.042 -1.732 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.537 5.478 -1.618 1.00 15.47 N ATOM 0 H LYS A 27 -0.689 1.075 -4.789 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.824 -0.556 -3.951 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.839 2.084 -5.547 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.239 1.411 -4.737 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.024 1.553 -2.577 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.670 2.292 -3.409 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.935 4.297 -3.868 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.432 3.552 -3.343 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.621 3.415 -1.020 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.024 3.955 -1.497 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.912 5.988 -0.962 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.498 5.929 -2.554 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.513 5.507 -1.259 1.00 15.47 H new ATOM 439 N ALA A 28 -2.421 -0.610 -7.240 1.00 6.61 N ATOM 440 CA ALA A 28 -2.768 -1.323 -8.481 1.00 7.74 C ATOM 441 C ALA A 28 -2.448 -2.805 -8.301 1.00 9.17 C ATOM 442 O ALA A 28 -3.231 -3.592 -8.769 1.00 11.45 O ATOM 443 CB ALA A 28 -1.766 -0.922 -9.576 1.00 7.68 C ATOM 0 H ALA A 28 -1.582 -0.044 -7.365 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.810 -1.109 -8.717 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.011 -1.443 -10.502 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.818 0.154 -9.740 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.758 -1.193 -9.263 1.00 7.68 H new ATOM 449 N LYS A 29 -1.386 -3.129 -7.576 1.00 8.96 N ATOM 450 CA LYS A 29 -1.048 -4.486 -7.130 1.00 7.90 C ATOM 451 C LYS A 29 -2.104 -4.987 -6.160 1.00 6.92 C ATOM 452 O LYS A 29 -2.496 -6.175 -6.332 1.00 6.87 O ATOM 453 CB LYS A 29 0.363 -4.522 -6.559 1.00 10.28 C ATOM 454 CG LYS A 29 1.474 -4.336 -7.568 1.00 14.94 C ATOM 455 CD LYS A 29 2.879 -4.051 -7.069 1.00 19.69 C ATOM 456 CE LYS A 29 3.838 -3.566 -8.244 1.00 22.63 C ATOM 457 NZ LYS A 29 4.026 -4.550 -9.406 1.00 24.98 N ATOM 0 H LYS A 29 -0.707 -2.433 -7.268 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.049 -5.169 -7.979 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.450 -3.744 -5.800 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.509 -5.477 -6.055 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.518 -5.237 -8.179 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.186 -3.517 -8.228 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.841 -3.287 -6.293 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.291 -4.950 -6.611 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.445 -2.632 -8.645 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.817 -3.344 -7.819 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.667 -4.135 -10.112 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.434 -5.437 -9.047 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.105 -4.746 -9.847 1.00 24.98 H new ATOM 471 N ILE A 30 -2.568 -4.247 -5.155 1.00 4.57 N ATOM 472 CA ILE A 30 -3.730 -4.559 -4.313 1.00 5.58 C ATOM 473 C ILE A 30 -5.068 -4.697 -5.126 1.00 7.26 C ATOM 474 O ILE A 30 -5.791 -5.693 -4.895 1.00 9.46 O ATOM 475 CB ILE A 30 -3.876 -3.558 -3.175 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.718 -3.728 -2.119 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.257 -3.702 -2.512 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.482 -2.612 -1.158 1.00 2.00 C ATOM 0 H ILE A 30 -2.124 -3.368 -4.889 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.534 -5.541 -3.882 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.798 -2.553 -3.589 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.922 -4.630 -1.541 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.790 -3.902 -2.665 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.348 -2.980 -1.700 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.036 -3.517 -3.251 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.366 -4.711 -2.115 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.657 -2.871 -0.495 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.234 -1.704 -1.708 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.383 -2.444 -0.568 1.00 2.00 H new ATOM 490 N GLN A 31 -5.373 -3.762 -6.038 1.00 7.06 N ATOM 491 CA GLN A 31 -6.505 -3.798 -6.906 1.00 8.67 C ATOM 492 C GLN A 31 -6.583 -5.107 -7.721 1.00 10.90 C ATOM 493 O GLN A 31 -7.587 -5.819 -7.779 1.00 9.63 O ATOM 494 CB GLN A 31 -6.643 -2.551 -7.843 1.00 9.12 C ATOM 495 CG GLN A 31 -7.784 -2.696 -8.880 1.00 10.76 C ATOM 496 CD GLN A 31 -7.692 -1.509 -9.851 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.561 -0.679 -9.971 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.645 -1.578 -10.724 1.00 14.76 N ATOM 0 H GLN A 31 -4.796 -2.933 -6.178 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.359 -3.764 -6.230 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.823 -1.665 -7.235 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.701 -2.392 -8.368 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.692 -3.639 -9.420 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.753 -2.707 -8.382 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.924 -2.289 -10.600 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.584 -0.919 -11.500 1.00 14.76 H new ATOM 507 N ASP A 32 -5.432 -5.494 -8.356 1.00 10.93 N ATOM 508 CA ASP A 32 -5.187 -6.774 -9.036 1.00 14.01 C ATOM 509 C ASP A 32 -5.563 -7.942 -8.129 1.00 14.04 C ATOM 510 O ASP A 32 -6.132 -8.969 -8.584 1.00 13.39 O ATOM 511 CB ASP A 32 -3.765 -6.712 -9.642 1.00 18.01 C ATOM 512 CG ASP A 32 -3.335 -7.962 -10.340 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.655 -8.124 -11.563 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.682 -8.907 -9.756 1.00 25.17 O ATOM 0 H ASP A 32 -4.620 -4.879 -8.400 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.837 -6.961 -9.891 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.720 -5.883 -10.348 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.054 -6.492 -8.846 1.00 18.01 H new ATOM 519 N LYS A 33 -5.366 -7.824 -6.798 1.00 14.22 N ATOM 520 CA LYS A 33 -5.646 -8.919 -5.899 1.00 14.00 C ATOM 521 C LYS A 33 -7.110 -8.931 -5.415 1.00 12.37 C ATOM 522 O LYS A 33 -7.867 -9.868 -5.504 1.00 12.17 O ATOM 523 CB LYS A 33 -4.652 -8.984 -4.688 1.00 18.62 C ATOM 524 CG LYS A 33 -3.155 -9.195 -5.125 1.00 24.00 C ATOM 525 CD LYS A 33 -2.863 -10.707 -5.125 1.00 27.61 C ATOM 526 CE LYS A 33 -1.362 -10.922 -5.482 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.998 -12.382 -5.549 1.00 30.06 N ATOM 0 H LYS A 33 -5.016 -6.980 -6.344 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.491 -9.822 -6.490 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.729 -8.061 -4.113 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.949 -9.798 -4.026 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.986 -8.775 -6.116 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.483 -8.678 -4.441 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.085 -11.135 -4.148 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.501 -11.216 -5.848 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.147 -10.451 -6.441 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.738 -10.427 -4.737 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.009 -12.478 -5.789 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.178 -12.827 -4.627 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.574 -12.850 -6.278 1.00 30.06 H new ATOM 541 N GLU A 34 -7.538 -7.777 -4.902 1.00 10.11 N ATOM 542 CA GLU A 34 -8.749 -7.724 -4.068 1.00 10.07 C ATOM 543 C GLU A 34 -9.881 -7.026 -4.785 1.00 9.32 C ATOM 544 O GLU A 34 -10.970 -6.907 -4.238 1.00 11.61 O ATOM 545 CB GLU A 34 -8.402 -6.969 -2.783 1.00 14.77 C ATOM 546 CG GLU A 34 -7.404 -7.601 -1.827 1.00 18.75 C ATOM 547 CD GLU A 34 -7.839 -8.971 -1.498 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.840 -9.215 -0.795 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.199 -9.987 -1.910 1.00 21.95 O ATOM 0 H GLU A 34 -7.077 -6.878 -5.043 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.081 -8.738 -3.846 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.018 -5.989 -3.066 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.329 -6.802 -2.234 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.413 -7.622 -2.280 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.327 -7.004 -0.918 1.00 18.75 H new ATOM 556 N GLY A 35 -9.718 -6.440 -5.972 1.00 7.22 N ATOM 557 CA GLY A 35 -10.831 -5.843 -6.712 1.00 6.29 C ATOM 558 C GLY A 35 -11.176 -4.447 -6.177 1.00 6.93 C ATOM 559 O GLY A 35 -12.175 -3.865 -6.584 1.00 7.41 O ATOM 0 H GLY A 35 -8.817 -6.366 -6.445 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.572 -5.775 -7.769 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.706 -6.489 -6.639 1.00 6.29 H new ATOM 563 N ILE A 36 -10.337 -3.846 -5.326 1.00 5.86 N ATOM 564 CA ILE A 36 -10.530 -2.489 -4.757 1.00 6.07 C ATOM 565 C ILE A 36 -9.786 -1.372 -5.572 1.00 6.36 C ATOM 566 O ILE A 36 -8.545 -1.351 -5.585 1.00 6.18 O ATOM 567 CB ILE A 36 -10.021 -2.311 -3.302 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.409 -3.464 -2.331 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.557 -0.979 -2.808 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.548 -3.604 -1.058 1.00 9.49 C ATOM 0 H ILE A 36 -9.480 -4.293 -5.000 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.614 -2.386 -4.798 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.931 -2.337 -3.315 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.447 -3.322 -2.029 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.363 -4.404 -2.880 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.223 -0.810 -1.784 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.186 -0.178 -3.448 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.647 -0.992 -2.837 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.914 -4.440 -0.462 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.510 -3.785 -1.339 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.611 -2.686 -0.473 1.00 9.49 H new ATOM 582 N PRO A 37 -10.471 -0.423 -6.320 1.00 8.65 N ATOM 583 CA PRO A 37 -9.808 0.751 -6.904 1.00 9.18 C ATOM 584 C PRO A 37 -8.831 1.511 -6.044 1.00 9.85 C ATOM 585 O PRO A 37 -9.225 1.605 -4.882 1.00 8.51 O ATOM 586 CB PRO A 37 -10.953 1.617 -7.209 1.00 11.42 C ATOM 587 CG PRO A 37 -12.043 0.636 -7.639 1.00 9.27 C ATOM 588 CD PRO A 37 -11.960 -0.468 -6.559 1.00 8.33 C ATOM 0 HA PRO A 37 -9.174 0.430 -7.730 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.258 2.199 -6.339 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.718 2.328 -8.002 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.025 1.108 -7.660 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.858 0.239 -8.637 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.540 -0.234 -5.667 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.303 -1.439 -6.917 1.00 8.33 H new ATOM 596 N PRO A 38 -7.685 2.134 -6.509 1.00 8.71 N ATOM 597 CA PRO A 38 -6.732 2.874 -5.615 1.00 9.08 C ATOM 598 C PRO A 38 -7.371 4.016 -4.901 1.00 9.28 C ATOM 599 O PRO A 38 -6.936 4.240 -3.797 1.00 6.50 O ATOM 600 CB PRO A 38 -5.701 3.418 -6.615 1.00 10.31 C ATOM 601 CG PRO A 38 -5.574 2.375 -7.723 1.00 10.81 C ATOM 602 CD PRO A 38 -6.986 1.802 -7.817 1.00 12.00 C ATOM 0 HA PRO A 38 -6.331 2.232 -4.830 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.024 4.377 -7.021 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.740 3.585 -6.128 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.256 2.823 -8.665 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.842 1.607 -7.473 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.522 2.234 -8.662 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.956 0.724 -7.976 1.00 12.00 H new ATOM 610 N ASP A 39 -8.413 4.659 -5.560 1.00 11.20 N ATOM 611 CA ASP A 39 -9.134 5.733 -4.890 1.00 14.96 C ATOM 612 C ASP A 39 -9.976 5.274 -3.660 1.00 13.99 C ATOM 613 O ASP A 39 -10.463 6.122 -2.872 1.00 13.75 O ATOM 614 CB ASP A 39 -10.091 6.449 -5.916 1.00 24.16 C ATOM 615 CG ASP A 39 -9.342 7.281 -6.869 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.471 8.060 -6.427 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.526 7.156 -8.124 1.00 34.22 O ATOM 0 H ASP A 39 -8.732 4.441 -6.504 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.368 6.410 -4.511 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.666 5.700 -6.461 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.806 7.069 -5.375 1.00 24.16 H new ATOM 622 N GLN A 40 -10.097 3.942 -3.498 1.00 11.60 N ATOM 623 CA GLN A 40 -10.810 3.296 -2.352 1.00 10.76 C ATOM 624 C GLN A 40 -9.751 2.735 -1.399 1.00 8.01 C ATOM 625 O GLN A 40 -10.130 1.956 -0.487 1.00 8.96 O ATOM 626 CB GLN A 40 -11.842 2.261 -2.848 1.00 11.14 C ATOM 627 CG GLN A 40 -13.099 3.033 -3.310 1.00 14.85 C ATOM 628 CD GLN A 40 -14.074 1.936 -3.705 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.918 0.735 -3.580 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.275 2.452 -4.206 1.00 18.16 N ATOM 0 H GLN A 40 -9.704 3.270 -4.157 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.407 4.019 -1.797 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.430 1.674 -3.669 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.095 1.561 -2.051 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.501 3.657 -2.512 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.877 3.692 -4.149 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.394 3.460 -4.306 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.031 1.820 -4.471 1.00 18.16 H new ATOM 639 N GLN A 41 -8.441 3.029 -1.506 1.00 6.52 N ATOM 640 CA GLN A 41 -7.438 2.438 -0.600 1.00 3.87 C ATOM 641 C GLN A 41 -6.662 3.636 -0.028 1.00 4.79 C ATOM 642 O GLN A 41 -6.181 4.533 -0.741 1.00 6.34 O ATOM 643 CB GLN A 41 -6.365 1.748 -1.473 1.00 4.20 C ATOM 644 CG GLN A 41 -6.913 0.399 -1.932 1.00 3.20 C ATOM 645 CD GLN A 41 -5.920 -0.397 -2.881 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.797 -0.607 -2.407 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.331 -0.687 -4.097 1.00 7.13 N ATOM 0 H GLN A 41 -8.055 3.666 -2.203 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.906 1.776 0.128 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.119 2.370 -2.333 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.445 1.610 -0.905 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.134 -0.211 -1.057 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.855 0.558 -2.456 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.286 -0.466 -4.379 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.695 -1.133 -4.758 1.00 7.13 H new ATOM 656 N ARG A 42 -6.429 3.573 1.311 1.00 5.73 N ATOM 657 CA ARG A 42 -5.540 4.361 2.108 1.00 6.97 C ATOM 658 C ARG A 42 -4.483 3.382 2.686 1.00 7.15 C ATOM 659 O ARG A 42 -4.759 2.273 3.174 1.00 7.33 O ATOM 660 CB ARG A 42 -6.349 5.207 3.094 1.00 13.23 C ATOM 661 CG ARG A 42 -5.580 5.987 4.228 1.00 21.27 C ATOM 662 CD ARG A 42 -6.470 7.044 4.902 1.00 26.14 C ATOM 663 NE ARG A 42 -6.820 8.142 3.927 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.933 8.890 3.984 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.896 8.734 4.873 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.106 9.845 3.052 1.00 36.39 N ATOM 0 H ARG A 42 -6.924 2.891 1.885 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.978 5.115 1.557 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.916 5.937 2.516 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.073 4.551 3.577 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.225 5.280 4.978 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.700 6.471 3.803 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.381 6.576 5.274 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.954 7.466 5.764 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.163 8.329 3.170 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.823 8.004 5.581 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.713 9.344 4.852 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.401 9.985 2.328 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.942 10.429 3.070 1.00 36.39 H new ATOM 680 N LEU A 43 -3.200 3.795 2.535 1.00 4.65 N ATOM 681 CA LEU A 43 -2.093 2.983 2.933 1.00 3.51 C ATOM 682 C LEU A 43 -1.245 3.698 3.943 1.00 5.56 C ATOM 683 O LEU A 43 -0.835 4.863 3.851 1.00 4.19 O ATOM 684 CB LEU A 43 -1.234 2.634 1.639 1.00 3.74 C ATOM 685 CG LEU A 43 -1.787 1.365 0.928 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.147 1.136 -0.431 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.607 0.066 1.671 1.00 6.41 C ATOM 0 H LEU A 43 -2.937 4.696 2.135 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.460 2.067 3.397 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.250 3.478 0.949 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.194 2.473 1.921 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.850 1.599 0.862 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.568 0.239 -0.885 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.343 1.994 -1.074 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.071 1.011 -0.310 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.028 -0.750 1.084 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.545 -0.115 1.835 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.118 0.123 2.632 1.00 6.41 H new ATOM 699 N ILE A 44 -1.016 2.926 4.998 1.00 4.58 N ATOM 700 CA ILE A 44 -0.358 3.352 6.276 1.00 5.55 C ATOM 701 C ILE A 44 0.920 2.500 6.430 1.00 5.46 C ATOM 702 O ILE A 44 0.984 1.325 6.092 1.00 6.04 O ATOM 703 CB ILE A 44 -1.311 3.068 7.546 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.802 3.578 7.314 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.657 3.638 8.846 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.966 5.104 7.221 1.00 13.90 C ATOM 0 H ILE A 44 -1.286 1.942 5.011 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.145 4.420 6.239 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.403 1.989 7.673 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.183 3.131 6.396 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.425 3.211 8.129 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.308 3.441 9.697 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.308 3.158 9.009 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.514 4.713 8.740 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.016 5.348 7.063 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.622 5.564 8.147 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.376 5.483 6.387 1.00 13.90 H new ATOM 718 N PHE A 45 2.007 3.180 6.819 1.00 6.75 N ATOM 719 CA PHE A 45 3.185 2.426 7.288 1.00 4.70 C ATOM 720 C PHE A 45 3.800 3.157 8.384 1.00 6.34 C ATOM 721 O PHE A 45 4.012 4.373 8.350 1.00 5.45 O ATOM 722 CB PHE A 45 4.224 2.358 6.106 1.00 5.51 C ATOM 723 CG PHE A 45 5.423 1.509 6.522 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.392 0.123 6.482 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.585 2.197 6.867 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.485 -0.665 6.811 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.755 1.451 7.161 1.00 6.64 C ATOM 728 CZ PHE A 45 7.686 0.076 7.229 1.00 6.84 C ATOM 0 H PHE A 45 2.100 4.196 6.822 1.00 6.75 H new ATOM 0 HA PHE A 45 2.893 1.427 7.612 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.754 1.931 5.220 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.553 3.363 5.840 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.476 -0.364 6.181 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.594 3.276 6.910 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.457 -1.744 6.764 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.694 1.957 7.330 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.538 -0.474 7.600 1.00 6.84 H new ATOM 738 N ALA A 46 3.979 2.449 9.499 1.00 6.53 N ATOM 739 CA ALA A 46 4.633 2.886 10.750 1.00 7.15 C ATOM 740 C ALA A 46 3.970 4.160 11.254 1.00 9.00 C ATOM 741 O ALA A 46 4.633 5.085 11.769 1.00 11.15 O ATOM 742 CB ALA A 46 6.086 3.014 10.613 1.00 8.99 C ATOM 0 H ALA A 46 3.650 1.486 9.565 1.00 6.53 H new ATOM 0 HA ALA A 46 4.493 2.110 11.502 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.514 3.338 11.562 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.511 2.050 10.333 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.315 3.750 9.842 1.00 8.99 H new ATOM 748 N GLY A 47 2.592 4.178 11.175 1.00 9.35 N ATOM 749 CA GLY A 47 1.680 5.201 11.644 1.00 11.68 C ATOM 750 C GLY A 47 1.484 6.315 10.661 1.00 11.14 C ATOM 751 O GLY A 47 0.653 7.181 10.892 1.00 13.93 O ATOM 0 H GLY A 47 2.088 3.403 10.743 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.715 4.745 11.863 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.057 5.613 12.580 1.00 11.68 H new ATOM 755 N LYS A 48 2.196 6.285 9.527 1.00 10.47 N ATOM 756 CA LYS A 48 2.199 7.414 8.680 1.00 8.82 C ATOM 757 C LYS A 48 1.350 6.982 7.451 1.00 7.68 C ATOM 758 O LYS A 48 1.612 5.930 6.830 1.00 6.47 O ATOM 759 CB LYS A 48 3.644 7.641 8.192 1.00 9.74 C ATOM 760 CG LYS A 48 4.617 7.873 9.357 1.00 14.14 C ATOM 761 CD LYS A 48 6.049 8.001 8.948 1.00 16.32 C ATOM 762 CE LYS A 48 6.651 6.631 8.478 1.00 20.04 C ATOM 763 NZ LYS A 48 8.021 6.849 7.944 1.00 23.92 N ATOM 0 H LYS A 48 2.756 5.495 9.207 1.00 10.47 H new ATOM 0 HA LYS A 48 1.823 8.313 9.169 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.971 6.777 7.614 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.669 8.501 7.522 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.321 8.778 9.887 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.525 7.046 10.061 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.132 8.729 8.141 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.632 8.385 9.785 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.682 5.930 9.312 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.017 6.187 7.711 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.421 5.941 7.632 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.979 7.504 7.137 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.623 7.255 8.688 1.00 23.92 H new ATOM 777 N GLN A 49 0.332 7.760 6.968 1.00 8.89 N ATOM 778 CA GLN A 49 -0.237 7.526 5.633 1.00 7.18 C ATOM 779 C GLN A 49 0.765 7.816 4.509 1.00 8.23 C ATOM 780 O GLN A 49 1.469 8.837 4.555 1.00 9.70 O ATOM 781 CB GLN A 49 -1.640 8.131 5.413 1.00 11.67 C ATOM 782 CG GLN A 49 -1.629 9.696 5.362 1.00 15.82 C ATOM 783 CD GLN A 49 -3.081 10.188 5.232 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.681 10.495 6.276 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.591 10.236 3.988 1.00 20.67 N ATOM 0 H GLN A 49 -0.092 8.533 7.481 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.428 6.454 5.586 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.054 7.745 4.481 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.301 7.804 6.215 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.170 10.102 6.264 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.034 10.044 4.518 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.017 9.962 3.191 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.552 10.546 3.842 1.00 20.67 H new ATOM 794 N LEU A 50 0.813 7.052 3.423 1.00 6.51 N ATOM 795 CA LEU A 50 1.906 7.141 2.418 1.00 7.41 C ATOM 796 C LEU A 50 1.383 7.644 1.096 1.00 8.27 C ATOM 797 O LEU A 50 0.326 7.195 0.620 1.00 8.34 O ATOM 798 CB LEU A 50 2.545 5.766 2.206 1.00 7.13 C ATOM 799 CG LEU A 50 3.269 5.095 3.443 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.056 3.886 2.946 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.213 6.086 4.159 1.00 9.11 C ATOM 0 H LEU A 50 0.106 6.351 3.200 1.00 6.51 H new ATOM 0 HA LEU A 50 2.650 7.841 2.798 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.768 5.084 1.861 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.272 5.854 1.399 1.00 7.13 H new ATOM 0 HG LEU A 50 2.515 4.787 4.168 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.562 3.411 3.786 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.374 3.173 2.483 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.795 4.209 2.213 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.691 5.588 5.002 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.976 6.431 3.461 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.639 6.940 4.520 1.00 9.11 H new ATOM 813 N GLU A 51 2.142 8.513 0.403 1.00 9.43 N ATOM 814 CA GLU A 51 1.597 9.244 -0.673 1.00 11.90 C ATOM 815 C GLU A 51 1.862 8.573 -1.996 1.00 11.49 C ATOM 816 O GLU A 51 2.983 8.175 -2.290 1.00 9.88 O ATOM 817 CB GLU A 51 2.052 10.674 -0.703 1.00 16.56 C ATOM 818 CG GLU A 51 1.778 11.433 0.609 1.00 26.06 C ATOM 819 CD GLU A 51 0.332 11.630 0.894 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.417 11.984 -0.041 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.089 11.331 2.050 1.00 33.44 O ATOM 0 H GLU A 51 3.126 8.701 0.595 1.00 9.43 H new ATOM 0 HA GLU A 51 0.520 9.257 -0.505 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.121 10.703 -0.914 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.552 11.189 -1.523 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.231 10.887 1.436 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.266 12.406 0.564 1.00 26.06 H new ATOM 828 N ASP A 52 0.828 8.532 -2.830 1.00 12.71 N ATOM 829 CA ASP A 52 0.567 7.773 -4.032 1.00 16.56 C ATOM 830 C ASP A 52 1.622 7.866 -5.117 1.00 15.83 C ATOM 831 O ASP A 52 1.956 6.905 -5.788 1.00 17.21 O ATOM 832 CB ASP A 52 -0.842 8.213 -4.657 1.00 21.05 C ATOM 833 CG ASP A 52 -1.950 7.888 -3.735 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.558 6.779 -3.700 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.351 8.837 -3.005 1.00 28.37 O ATOM 0 H ASP A 52 0.028 9.134 -2.636 1.00 12.71 H new ATOM 0 HA ASP A 52 0.570 6.734 -3.702 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.836 9.284 -4.862 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.996 7.707 -5.610 1.00 21.05 H new ATOM 840 N GLY A 53 2.117 9.096 -5.279 1.00 15.00 N ATOM 841 CA GLY A 53 3.210 9.418 -6.217 1.00 11.77 C ATOM 842 C GLY A 53 4.612 9.183 -5.792 1.00 11.10 C ATOM 843 O GLY A 53 5.555 9.265 -6.568 1.00 11.25 O ATOM 0 H GLY A 53 1.773 9.905 -4.763 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.042 8.845 -7.129 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.118 10.471 -6.481 1.00 11.77 H new ATOM 847 N ARG A 54 4.794 8.801 -4.531 1.00 8.53 N ATOM 848 CA ARG A 54 6.075 8.752 -3.906 1.00 9.05 C ATOM 849 C ARG A 54 6.546 7.280 -4.066 1.00 8.96 C ATOM 850 O ARG A 54 5.691 6.389 -4.053 1.00 11.60 O ATOM 851 CB ARG A 54 6.080 9.083 -2.391 1.00 7.97 C ATOM 852 CG ARG A 54 7.348 9.891 -1.836 1.00 9.62 C ATOM 853 CD ARG A 54 7.306 11.374 -2.436 1.00 12.20 C ATOM 854 NE ARG A 54 6.065 12.082 -2.110 1.00 18.23 N ATOM 855 CZ ARG A 54 5.866 12.807 -1.033 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.818 12.910 -0.092 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.724 13.396 -0.821 1.00 23.38 N ATOM 0 H ARG A 54 4.029 8.515 -3.919 1.00 8.53 H new ATOM 0 HA ARG A 54 6.711 9.504 -4.374 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.183 9.660 -2.166 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.004 8.147 -1.838 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.330 9.922 -0.747 1.00 9.62 H new ATOM 0 HG3 ARG A 54 8.272 9.391 -2.125 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.154 11.941 -2.052 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.418 11.326 -3.519 1.00 12.20 H new ATOM 0 HE ARG A 54 5.294 12.006 -2.773 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.706 12.423 -0.210 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.653 13.476 0.741 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.966 13.298 -1.497 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.587 13.955 0.021 1.00 23.38 H new ATOM 871 N THR A 55 7.839 6.985 -4.076 1.00 9.05 N ATOM 872 CA THR A 55 8.267 5.578 -4.064 1.00 9.03 C ATOM 873 C THR A 55 8.565 4.956 -2.790 1.00 8.15 C ATOM 874 O THR A 55 8.734 5.548 -1.733 1.00 5.91 O ATOM 875 CB THR A 55 9.410 5.367 -5.032 1.00 11.15 C ATOM 876 OG1 THR A 55 10.670 5.923 -4.575 1.00 11.95 O ATOM 877 CG2 THR A 55 9.167 6.094 -6.369 1.00 11.71 C ATOM 0 H THR A 55 8.594 7.670 -4.092 1.00 9.05 H new ATOM 0 HA THR A 55 7.363 5.055 -4.376 1.00 9.03 H new ATOM 0 HB THR A 55 9.459 4.282 -5.127 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.604 6.900 -4.544 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.010 5.918 -7.037 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.254 5.715 -6.829 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.065 7.164 -6.188 1.00 11.71 H new ATOM 885 N LEU A 56 8.623 3.631 -2.733 1.00 6.91 N ATOM 886 CA LEU A 56 8.882 2.756 -1.599 1.00 8.29 C ATOM 887 C LEU A 56 10.302 3.005 -1.045 1.00 8.05 C ATOM 888 O LEU A 56 10.471 3.064 0.152 1.00 10.17 O ATOM 889 CB LEU A 56 8.798 1.302 -2.058 1.00 6.60 C ATOM 890 CG LEU A 56 7.322 0.923 -2.438 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.369 -0.525 -3.045 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.312 0.968 -1.366 1.00 8.64 C ATOM 0 H LEU A 56 8.472 3.082 -3.579 1.00 6.91 H new ATOM 0 HA LEU A 56 8.144 2.960 -0.824 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.451 1.149 -2.917 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.155 0.644 -1.265 1.00 6.60 H new ATOM 0 HG LEU A 56 6.985 1.695 -3.130 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.362 -0.835 -3.326 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.009 -0.529 -3.927 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.768 -1.217 -2.304 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.340 0.683 -1.769 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.592 0.275 -0.573 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.255 1.979 -0.962 1.00 8.64 H new ATOM 904 N SER A 57 11.299 3.279 -1.901 1.00 8.92 N ATOM 905 CA SER A 57 12.581 3.762 -1.431 1.00 9.00 C ATOM 906 C SER A 57 12.685 5.233 -0.938 1.00 9.44 C ATOM 907 O SER A 57 13.622 5.602 -0.215 1.00 10.91 O ATOM 908 CB SER A 57 13.679 3.546 -2.521 1.00 10.32 C ATOM 909 OG SER A 57 13.307 4.238 -3.681 1.00 13.59 O ATOM 0 H SER A 57 11.231 3.171 -2.913 1.00 8.92 H new ATOM 0 HA SER A 57 12.728 3.159 -0.535 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.644 3.904 -2.161 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.793 2.484 -2.736 1.00 10.32 H new ATOM 0 HG SER A 57 12.655 3.707 -4.184 1.00 13.59 H new ATOM 915 N ASP A 58 11.727 6.149 -1.318 1.00 9.11 N ATOM 916 CA ASP A 58 11.590 7.489 -0.719 1.00 7.91 C ATOM 917 C ASP A 58 11.165 7.427 0.773 1.00 9.12 C ATOM 918 O ASP A 58 11.552 8.277 1.615 1.00 8.61 O ATOM 919 CB ASP A 58 10.480 8.370 -1.476 1.00 8.41 C ATOM 920 CG ASP A 58 11.096 8.624 -2.847 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.256 9.150 -2.884 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.417 8.419 -3.904 1.00 11.70 O ATOM 0 H ASP A 58 11.040 5.960 -2.048 1.00 9.11 H new ATOM 0 HA ASP A 58 12.577 7.942 -0.813 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.532 7.838 -1.555 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.280 9.302 -0.948 1.00 8.41 H new ATOM 927 N TYR A 59 10.272 6.420 1.189 1.00 7.97 N ATOM 928 CA TYR A 59 9.898 6.199 2.524 1.00 8.45 C ATOM 929 C TYR A 59 10.790 5.218 3.188 1.00 10.98 C ATOM 930 O TYR A 59 10.557 4.904 4.368 1.00 12.95 O ATOM 931 CB TYR A 59 8.455 5.563 2.600 1.00 7.94 C ATOM 932 CG TYR A 59 7.512 6.686 2.065 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.448 7.894 2.738 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.614 6.385 0.993 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.654 8.919 2.266 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.745 7.426 0.561 1.00 6.52 C ATOM 937 CZ TYR A 59 5.736 8.645 1.222 1.00 6.76 C ATOM 938 OH TYR A 59 4.804 9.663 0.762 1.00 7.63 O ATOM 0 H TYR A 59 9.830 5.773 0.536 1.00 7.97 H new ATOM 0 HA TYR A 59 9.947 7.172 3.012 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.385 4.661 1.992 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.198 5.280 3.621 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.025 8.035 3.640 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.596 5.409 0.531 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.731 9.912 2.685 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.091 7.266 -0.284 1.00 6.52 H new ATOM 0 HH TYR A 59 5.215 10.180 0.038 1.00 7.63 H new ATOM 948 N ASN A 60 11.889 4.755 2.562 1.00 12.38 N ATOM 949 CA ASN A 60 12.930 3.874 3.084 1.00 13.94 C ATOM 950 C ASN A 60 12.392 2.479 3.481 1.00 14.16 C ATOM 951 O ASN A 60 12.679 1.941 4.571 1.00 14.26 O ATOM 952 CB ASN A 60 13.788 4.612 4.167 1.00 19.23 C ATOM 953 CG ASN A 60 14.407 5.918 3.615 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.388 5.939 2.892 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.824 7.032 4.098 1.00 24.09 N ATOM 0 H ASN A 60 12.080 5.016 1.594 1.00 12.38 H new ATOM 0 HA ASN A 60 13.628 3.639 2.280 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.164 4.842 5.031 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.582 3.951 4.514 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.203 7.949 3.862 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.004 6.958 4.700 1.00 24.09 H new ATOM 962 N ILE A 61 11.522 1.821 2.646 1.00 11.08 N ATOM 963 CA ILE A 61 10.825 0.581 3.051 1.00 11.78 C ATOM 964 C ILE A 61 11.673 -0.637 2.591 1.00 13.74 C ATOM 965 O ILE A 61 11.967 -0.802 1.426 1.00 14.60 O ATOM 966 CB ILE A 61 9.397 0.497 2.477 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.622 1.690 2.960 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.672 -0.862 2.749 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.259 1.793 2.397 1.00 11.42 C ATOM 0 H ILE A 61 11.298 2.136 1.702 1.00 11.08 H new ATOM 0 HA ILE A 61 10.721 0.581 4.136 1.00 11.78 H new ATOM 0 HB ILE A 61 9.463 0.522 1.389 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.552 1.649 4.047 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.176 2.595 2.710 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.674 -0.836 2.312 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.243 -1.675 2.301 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.593 -1.023 3.824 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.767 2.680 2.795 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.319 1.868 1.311 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.685 0.907 2.669 1.00 11.42 H new ATOM 981 N GLN A 62 12.126 -1.471 3.556 1.00 13.97 N ATOM 982 CA GLN A 62 12.935 -2.649 3.234 1.00 15.52 C ATOM 983 C GLN A 62 12.148 -3.828 2.832 1.00 13.94 C ATOM 984 O GLN A 62 10.938 -3.880 2.879 1.00 12.15 O ATOM 985 CB GLN A 62 13.888 -3.047 4.335 1.00 19.53 C ATOM 986 CG GLN A 62 14.650 -1.877 5.002 1.00 26.38 C ATOM 987 CD GLN A 62 15.325 -2.469 6.254 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.768 -2.553 7.344 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.619 -2.818 6.025 1.00 32.71 N ATOM 0 H GLN A 62 11.943 -1.344 4.551 1.00 13.97 H new ATOM 0 HA GLN A 62 13.515 -2.318 2.372 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.328 -3.580 5.104 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.616 -3.748 3.927 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.390 -1.455 4.322 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.968 -1.070 5.271 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.016 -2.721 5.090 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.193 -3.177 6.788 1.00 32.71 H new ATOM 998 N LYS A 63 12.861 -4.902 2.423 1.00 11.73 N ATOM 999 CA LYS A 63 12.272 -6.211 2.170 1.00 11.97 C ATOM 1000 C LYS A 63 11.546 -6.898 3.378 1.00 10.41 C ATOM 1001 O LYS A 63 12.027 -6.693 4.512 1.00 9.59 O ATOM 1002 CB LYS A 63 13.312 -7.225 1.509 1.00 13.73 C ATOM 1003 CG LYS A 63 14.159 -8.020 2.466 1.00 16.98 C ATOM 1004 CD LYS A 63 15.383 -8.646 1.772 1.00 20.19 C ATOM 1005 CE LYS A 63 16.009 -9.807 2.540 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.131 -10.969 2.619 1.00 25.97 N ATOM 0 H LYS A 63 13.868 -4.871 2.262 1.00 11.73 H new ATOM 0 HA LYS A 63 11.478 -5.976 1.461 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.759 -7.922 0.879 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.974 -6.659 0.853 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.494 -7.373 3.277 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.555 -8.808 2.916 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.087 -8.996 0.783 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.138 -7.874 1.624 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.943 -10.095 2.057 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.260 -9.477 3.548 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.694 -11.837 2.511 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.651 -10.980 3.542 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.421 -10.920 1.860 1.00 25.97 H new ATOM 1020 N GLU A 64 10.445 -7.607 3.143 1.00 10.04 N ATOM 1021 CA GLU A 64 9.613 -8.336 4.135 1.00 10.94 C ATOM 1022 C GLU A 64 8.859 -7.427 5.120 1.00 9.74 C ATOM 1023 O GLU A 64 8.247 -7.936 6.068 1.00 9.42 O ATOM 1024 CB GLU A 64 10.508 -9.376 4.848 1.00 18.31 C ATOM 1025 CG GLU A 64 11.083 -10.414 3.898 1.00 24.16 C ATOM 1026 CD GLU A 64 12.009 -11.374 4.622 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.584 -12.349 5.282 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.262 -11.198 4.510 1.00 31.72 O ATOM 0 H GLU A 64 10.074 -7.703 2.198 1.00 10.04 H new ATOM 0 HA GLU A 64 8.811 -8.842 3.598 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.325 -8.860 5.351 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.926 -9.880 5.620 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.271 -10.972 3.431 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.628 -9.914 3.097 1.00 24.16 H new ATOM 1035 N SER A 65 8.748 -6.142 4.758 1.00 6.85 N ATOM 1036 CA SER A 65 8.022 -5.166 5.595 1.00 6.90 C ATOM 1037 C SER A 65 6.555 -5.286 5.495 1.00 4.72 C ATOM 1038 O SER A 65 5.954 -5.923 4.606 1.00 3.91 O ATOM 1039 CB SER A 65 8.328 -3.737 4.972 1.00 7.28 C ATOM 1040 OG SER A 65 9.719 -3.440 5.146 1.00 10.56 O ATOM 0 H SER A 65 9.145 -5.753 3.903 1.00 6.85 H new ATOM 0 HA SER A 65 8.334 -5.324 6.627 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.070 -3.725 3.913 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.717 -2.976 5.457 1.00 7.28 H new ATOM 0 HG SER A 65 10.230 -3.819 4.401 1.00 10.56 H new ATOM 1046 N THR A 66 5.899 -4.782 6.524 1.00 4.48 N ATOM 1047 CA THR A 66 4.437 -4.993 6.736 1.00 3.80 C ATOM 1048 C THR A 66 3.649 -3.712 6.625 1.00 4.60 C ATOM 1049 O THR A 66 3.631 -2.834 7.480 1.00 5.33 O ATOM 1050 CB THR A 66 4.138 -5.609 8.133 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.679 -6.971 8.100 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.599 -5.849 8.398 1.00 3.40 C ATOM 0 H THR A 66 6.342 -4.214 7.246 1.00 4.48 H new ATOM 0 HA THR A 66 4.131 -5.680 5.948 1.00 3.80 H new ATOM 0 HB THR A 66 4.548 -4.929 8.880 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.518 -7.408 8.962 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.463 -6.280 9.390 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.067 -4.899 8.339 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.203 -6.533 7.648 1.00 3.40 H new ATOM 1060 N LEU A 67 2.970 -3.513 5.463 1.00 4.17 N ATOM 1061 CA LEU A 67 2.198 -2.334 5.160 1.00 3.85 C ATOM 1062 C LEU A 67 0.798 -2.547 5.636 1.00 3.80 C ATOM 1063 O LEU A 67 0.259 -3.642 5.719 1.00 5.54 O ATOM 1064 CB LEU A 67 2.172 -2.012 3.689 1.00 7.18 C ATOM 1065 CG LEU A 67 3.411 -1.267 3.222 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.761 -1.958 3.567 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.375 -1.010 1.730 1.00 11.66 C ATOM 0 H LEU A 67 2.961 -4.201 4.710 1.00 4.17 H new ATOM 0 HA LEU A 67 2.670 -1.492 5.665 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.076 -2.938 3.122 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.289 -1.411 3.470 1.00 7.18 H new ATOM 0 HG LEU A 67 3.376 -0.331 3.780 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.586 -1.352 3.193 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.849 -2.064 4.648 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.795 -2.943 3.102 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.277 -0.475 1.431 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.323 -1.960 1.198 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.499 -0.409 1.485 1.00 11.66 H new ATOM 1079 N HIS A 68 0.200 -1.416 6.089 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.222 -1.404 6.557 1.00 4.17 C ATOM 1081 C HIS A 68 -2.250 -0.830 5.627 1.00 5.32 C ATOM 1082 O HIS A 68 -2.131 0.257 5.150 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.293 -0.853 7.987 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.669 -1.795 8.979 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.324 -2.866 9.518 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.653 -1.948 9.364 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.492 -3.593 10.256 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.710 -3.058 10.185 1.00 16.30 N ATOM 0 H HIS A 68 0.666 -0.510 6.142 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.533 -2.449 6.557 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.785 0.110 8.031 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.334 -0.677 8.258 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.482 -1.319 9.077 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.757 -4.475 10.820 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.544 -3.406 10.658 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.208 -1.756 5.302 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.306 -1.489 4.354 1.00 3.97 C ATOM 1098 C LEU A 69 -5.490 -1.043 5.193 1.00 5.07 C ATOM 1099 O LEU A 69 -6.050 -1.796 5.980 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.562 -2.722 3.414 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.820 -2.576 2.468 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.957 -1.245 1.703 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.743 -3.633 1.352 1.00 9.96 C ATOM 0 H LEU A 69 -3.228 -2.697 5.695 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.071 -0.693 3.647 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.677 -2.883 2.798 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.688 -3.612 4.030 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.658 -2.670 3.158 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.858 -1.269 1.090 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.024 -0.422 2.414 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.086 -1.102 1.063 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.609 -3.535 0.698 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.832 -3.484 0.772 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.733 -4.629 1.794 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.933 0.230 4.973 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.242 0.645 5.462 1.00 6.26 C ATOM 1117 C VAL A 70 -8.078 1.091 4.278 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 1.856 3.430 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.157 1.545 6.641 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.266 0.879 7.796 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.558 2.865 6.225 1.00 8.54 C ATOM 0 H VAL A 70 -5.409 0.950 4.476 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.790 -0.189 5.900 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.161 1.708 7.032 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.216 1.553 8.651 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.716 -0.065 8.104 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.260 0.695 7.419 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.496 3.525 7.090 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.559 2.700 5.822 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.186 3.325 5.462 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.321 0.584 4.117 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.232 1.184 3.108 1.00 16.06 C ATOM 1133 C LEU A 71 -10.344 2.721 3.111 1.00 18.09 C ATOM 1134 O LEU A 71 -10.097 3.450 4.047 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.611 0.510 3.219 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.548 -0.979 2.908 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.828 -1.758 3.210 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.099 -1.330 1.503 1.00 19.57 C ATOM 0 H LEU A 71 -9.706 -0.201 4.643 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.774 0.984 2.139 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.004 0.653 4.226 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.307 0.994 2.533 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.773 -1.294 3.606 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.684 -2.808 2.955 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.065 -1.671 4.270 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.649 -1.351 2.620 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.088 -2.413 1.384 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.788 -0.893 0.781 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.097 -0.936 1.332 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.538 3.342 1.944 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.646 4.775 1.821 1.00 25.83 C ATOM 1152 C ARG A 72 -12.113 5.061 1.313 1.00 27.74 C ATOM 1153 O ARG A 72 -12.634 4.289 0.466 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.625 5.347 0.785 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.535 6.878 0.627 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.451 7.322 -0.276 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.517 8.837 -0.339 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.611 9.571 -0.919 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.711 9.038 -1.696 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.667 10.917 -0.792 1.00 35.02 N ATOM 0 H ARG A 72 -10.624 2.847 1.056 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.432 5.250 2.778 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.635 4.980 1.055 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.867 4.924 -0.190 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.486 7.251 0.248 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.384 7.327 1.609 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.481 6.994 0.096 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.575 6.889 -1.269 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.312 9.305 0.096 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.709 8.031 -1.858 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.009 9.628 -2.142 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.414 11.347 -0.246 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.963 11.501 -1.242 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.776 6.066 1.871 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.084 6.622 1.560 1.00 30.76 C ATOM 1176 C LEU A 73 -13.905 7.971 0.893 1.00 32.18 C ATOM 1177 O LEU A 73 -12.911 8.621 1.240 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.005 6.659 2.818 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.412 5.223 3.307 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.968 5.109 4.726 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.384 4.497 2.371 1.00 29.11 C ATOM 0 H LEU A 73 -12.354 6.572 2.650 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.603 5.975 0.853 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.492 7.182 3.625 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.905 7.230 2.589 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.435 4.739 3.299 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.210 4.068 4.940 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.222 5.462 5.438 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.869 5.716 4.814 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.616 3.513 2.779 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.302 5.077 2.279 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.927 4.384 1.388 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.732 8.488 -0.002 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.635 9.751 -0.757 1.00 35.33 C ATOM 1195 C ARG A 74 -14.661 11.013 0.117 1.00 36.22 C ATOM 1196 O ARG A 74 -14.015 11.973 -0.290 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.832 9.831 -1.719 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.890 8.761 -2.910 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.675 8.883 -3.844 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.829 7.867 -4.940 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.239 8.051 -6.111 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.368 9.004 -6.425 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.322 7.072 -7.048 1.00 41.93 N ATOM 0 H ARG A 74 -15.584 7.986 -0.252 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.672 9.731 -1.267 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.744 9.731 -1.131 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.844 10.828 -2.160 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.929 7.755 -2.493 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.806 8.904 -3.484 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.615 9.888 -4.262 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.751 8.711 -3.292 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.391 7.031 -4.781 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.091 9.692 -5.725 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.976 9.047 -7.366 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.832 6.213 -6.844 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.874 7.196 -7.956 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.362 10.988 1.251 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.558 12.123 2.087 1.00 36.07 C ATOM 1219 C GLY A 75 -14.404 12.540 2.953 1.00 36.16 C ATOM 1220 O GLY A 75 -14.583 13.675 3.454 1.00 36.26 O ATOM 0 H GLY A 75 -15.813 10.144 1.604 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.828 12.968 1.453 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.412 11.924 2.734 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.334 11.778 3.136 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.458 12.155 4.253 1.00 36.19 C ATOM 1226 C GLY A 76 -11.162 11.342 4.211 1.00 36.20 C ATOM 1227 O GLY A 76 -10.433 11.538 3.208 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.782 10.539 5.163 1.00 0.00 O ATOM 0 H GLY A 76 -13.060 10.964 2.585 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.229 13.219 4.201 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.971 11.985 5.200 1.00 36.19 H new TER 1232 GLY A 76