USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 -51:sc= 2.15 USER MOD Set 1.2: A 57 SER OG : rot -45:sc= 1.22 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.231 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.231 X(o=0.46,f=0.54) USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= -0.0186 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot -169:sc= 0.991 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.246 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.42 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.985) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 2.4 (180deg=2.34) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc=-0.00877 (180deg=-0.412) USER MOD Single : A 31 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= 0.111 K(o=0.11,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.2!) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.187 USER MOD Single : A 60 ASN : amide:sc=-1.05e-06 X(o=-1.1e-06,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 0.469 (180deg=0.277) USER MOD Single : A 65 SER OG : rot -117:sc= 6.2e-05 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.121 -7.003 -5.387 1.00 9.67 N ATOM 2 CA MET A 1 11.259 -7.369 -3.875 1.00 10.38 C ATOM 3 C MET A 1 9.938 -7.579 -3.268 1.00 9.62 C ATOM 4 O MET A 1 8.943 -7.216 -3.865 1.00 9.62 O ATOM 5 CB MET A 1 12.066 -6.245 -3.248 1.00 13.77 C ATOM 6 CG MET A 1 11.367 -4.836 -3.119 1.00 16.29 C ATOM 7 SD MET A 1 12.509 -3.436 -2.481 1.00 17.17 S ATOM 8 CE MET A 1 11.046 -2.606 -1.924 1.00 16.11 C ATOM 0 H1 MET A 1 12.067 -6.892 -5.805 1.00 9.67 H new ATOM 0 H2 MET A 1 10.610 -7.761 -5.883 1.00 9.67 H new ATOM 0 H3 MET A 1 10.594 -6.111 -5.482 1.00 9.67 H new ATOM 0 HA MET A 1 11.778 -8.314 -3.713 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.369 -6.563 -2.251 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.977 -6.117 -3.833 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.973 -4.550 -4.094 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.515 -4.928 -2.445 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.325 -1.757 -1.300 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.478 -2.253 -2.785 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.434 -3.297 -1.344 1.00 16.11 H new ATOM 20 N GLN A 2 9.782 -8.163 -2.112 1.00 9.27 N ATOM 21 CA GLN A 2 8.512 -8.650 -1.615 1.00 9.07 C ATOM 22 C GLN A 2 8.159 -7.828 -0.373 1.00 8.72 C ATOM 23 O GLN A 2 8.979 -7.529 0.479 1.00 8.22 O ATOM 24 CB GLN A 2 8.716 -10.137 -1.174 1.00 14.46 C ATOM 25 CG GLN A 2 7.517 -11.048 -0.796 1.00 17.01 C ATOM 26 CD GLN A 2 6.904 -11.707 -1.991 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.151 -12.916 -2.033 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.212 -11.013 -2.864 1.00 19.49 N ATOM 0 H GLN A 2 10.555 -8.321 -1.465 1.00 9.27 H new ATOM 0 HA GLN A 2 7.730 -8.572 -2.370 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.249 -10.636 -1.983 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.385 -10.122 -0.313 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.852 -11.812 -0.094 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.760 -10.454 -0.283 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.072 -10.012 -2.724 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.814 -11.474 -3.682 1.00 19.49 H new ATOM 37 N ILE A 3 6.862 -7.503 -0.186 1.00 5.87 N ATOM 38 CA ILE A 3 6.388 -6.784 0.954 1.00 5.07 C ATOM 39 C ILE A 3 5.032 -7.370 1.312 1.00 4.01 C ATOM 40 O ILE A 3 4.246 -7.763 0.463 1.00 4.61 O ATOM 41 CB ILE A 3 6.203 -5.212 0.761 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.272 -4.858 -0.432 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.598 -4.647 0.625 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.935 -3.342 -0.564 1.00 10.83 C ATOM 0 H ILE A 3 6.126 -7.749 -0.848 1.00 5.87 H new ATOM 0 HA ILE A 3 7.151 -6.893 1.725 1.00 5.07 H new ATOM 0 HB ILE A 3 5.693 -4.767 1.615 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.743 -5.194 -1.356 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.341 -5.416 -0.328 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.541 -3.567 0.489 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.170 -4.870 1.525 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.090 -5.096 -0.238 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.281 -3.188 -1.422 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.432 -3.001 0.341 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.856 -2.775 -0.703 1.00 10.83 H new ATOM 56 N PHE A 4 4.716 -7.396 2.575 1.00 4.55 N ATOM 57 CA PHE A 4 3.454 -7.737 3.150 1.00 4.68 C ATOM 58 C PHE A 4 2.546 -6.556 3.382 1.00 5.30 C ATOM 59 O PHE A 4 2.971 -5.548 3.914 1.00 5.58 O ATOM 60 CB PHE A 4 3.633 -8.490 4.491 1.00 4.83 C ATOM 61 CG PHE A 4 4.702 -9.543 4.408 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.366 -10.658 3.582 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.960 -9.448 5.020 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.320 -11.572 3.250 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.920 -10.384 4.753 1.00 10.61 C ATOM 66 CZ PHE A 4 6.590 -11.407 3.818 1.00 8.90 C ATOM 0 H PHE A 4 5.402 -7.156 3.291 1.00 4.55 H new ATOM 0 HA PHE A 4 2.978 -8.380 2.410 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.887 -7.777 5.276 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.688 -8.954 4.775 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.355 -10.777 3.220 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.170 -8.637 5.701 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.106 -12.389 2.577 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.888 -10.349 5.231 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.368 -12.099 3.529 1.00 8.90 H new ATOM 76 N VAL A 5 1.228 -6.692 3.024 1.00 4.44 N ATOM 77 CA VAL A 5 0.240 -5.651 3.267 1.00 3.87 C ATOM 78 C VAL A 5 -0.824 -6.313 4.089 1.00 4.93 C ATOM 79 O VAL A 5 -1.263 -7.389 3.789 1.00 6.84 O ATOM 80 CB VAL A 5 -0.361 -5.228 1.948 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.443 -4.128 1.997 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.855 -4.723 1.120 1.00 9.13 C ATOM 0 H VAL A 5 0.851 -7.523 2.567 1.00 4.44 H new ATOM 0 HA VAL A 5 0.668 -4.777 3.758 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.899 -6.078 1.529 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.792 -3.916 0.987 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.280 -4.468 2.607 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.021 -3.222 2.433 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.515 -4.392 0.139 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.328 -3.890 1.640 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.575 -5.532 1.001 1.00 9.13 H new ATOM 92 N LYS A 6 -1.118 -5.682 5.203 1.00 6.04 N ATOM 93 CA LYS A 6 -2.168 -6.127 6.123 1.00 6.12 C ATOM 94 C LYS A 6 -3.468 -5.428 5.937 1.00 6.57 C ATOM 95 O LYS A 6 -3.590 -4.193 6.072 1.00 5.76 O ATOM 96 CB LYS A 6 -1.566 -5.811 7.540 1.00 7.45 C ATOM 97 CG LYS A 6 -1.548 -7.035 8.519 1.00 11.12 C ATOM 98 CD LYS A 6 -0.699 -8.273 8.075 1.00 14.54 C ATOM 99 CE LYS A 6 -0.381 -9.237 9.253 1.00 18.84 C ATOM 100 NZ LYS A 6 0.534 -10.344 8.813 1.00 20.55 N ATOM 0 H LYS A 6 -0.637 -4.836 5.509 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.411 -7.177 5.963 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.547 -5.445 7.416 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.141 -5.005 7.995 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.174 -6.694 9.485 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.576 -7.364 8.673 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.237 -8.818 7.300 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.235 -7.928 7.631 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.082 -8.680 10.068 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.308 -9.660 9.642 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.415 -11.163 9.442 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.301 -10.620 7.838 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.520 -10.016 8.854 1.00 20.55 H new ATOM 114 N THR A 7 -4.508 -6.181 5.613 1.00 7.41 N ATOM 115 CA THR A 7 -5.866 -5.738 5.286 1.00 7.48 C ATOM 116 C THR A 7 -6.790 -5.518 6.455 1.00 8.75 C ATOM 117 O THR A 7 -6.443 -5.852 7.564 1.00 8.58 O ATOM 118 CB THR A 7 -6.574 -6.625 4.259 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.892 -7.879 4.781 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.679 -6.841 3.025 1.00 9.17 C ATOM 0 H THR A 7 -4.424 -7.196 5.567 1.00 7.41 H new ATOM 0 HA THR A 7 -5.667 -4.759 4.849 1.00 7.48 H new ATOM 0 HB THR A 7 -7.493 -6.107 3.985 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.480 -8.354 4.157 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.198 -7.474 2.305 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.454 -5.878 2.566 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.750 -7.324 3.329 1.00 9.17 H new ATOM 128 N LEU A 8 -8.014 -4.931 6.169 1.00 9.84 N ATOM 129 CA LEU A 8 -9.090 -4.744 7.093 1.00 14.15 C ATOM 130 C LEU A 8 -9.429 -5.989 7.906 1.00 17.37 C ATOM 131 O LEU A 8 -9.536 -5.919 9.142 1.00 17.01 O ATOM 132 CB LEU A 8 -10.442 -4.376 6.460 1.00 16.63 C ATOM 133 CG LEU A 8 -10.332 -3.301 5.316 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.695 -3.061 4.594 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.833 -1.908 5.896 1.00 18.59 C ATOM 0 H LEU A 8 -8.236 -4.578 5.238 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.688 -3.930 7.696 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.902 -5.278 6.056 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.107 -4.000 7.237 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.614 -3.697 4.598 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.566 -2.311 3.814 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.040 -3.994 4.148 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.432 -2.710 5.316 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.765 -1.181 5.087 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.540 -1.552 6.646 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.852 -2.035 6.354 1.00 18.59 H new ATOM 147 N THR A 9 -9.458 -7.141 7.235 1.00 18.33 N ATOM 148 CA THR A 9 -9.753 -8.465 7.823 1.00 19.24 C ATOM 149 C THR A 9 -8.554 -9.188 8.368 1.00 19.48 C ATOM 150 O THR A 9 -8.753 -10.320 8.933 1.00 23.14 O ATOM 151 CB THR A 9 -10.598 -9.398 6.917 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.013 -9.547 5.633 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.030 -8.755 6.700 1.00 19.70 C ATOM 0 H THR A 9 -9.272 -7.189 6.233 1.00 18.33 H new ATOM 0 HA THR A 9 -10.378 -8.206 8.678 1.00 19.24 H new ATOM 0 HB THR A 9 -10.656 -10.369 7.409 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.569 -10.142 5.087 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.629 -9.407 6.064 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.525 -8.635 7.664 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.923 -7.781 6.223 1.00 19.70 H new ATOM 161 N GLY A 10 -7.333 -8.590 8.296 1.00 19.43 N ATOM 162 CA GLY A 10 -6.110 -9.144 8.788 1.00 18.74 C ATOM 163 C GLY A 10 -5.530 -10.151 7.903 1.00 17.62 C ATOM 164 O GLY A 10 -4.686 -10.939 8.350 1.00 19.74 O ATOM 0 H GLY A 10 -7.205 -7.672 7.870 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.388 -8.340 8.933 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.290 -9.591 9.766 1.00 18.74 H new ATOM 168 N LYS A 11 -5.843 -10.274 6.612 1.00 13.56 N ATOM 169 CA LYS A 11 -5.127 -11.073 5.638 1.00 11.91 C ATOM 170 C LYS A 11 -3.747 -10.437 5.337 1.00 10.18 C ATOM 171 O LYS A 11 -3.657 -9.268 5.212 1.00 9.10 O ATOM 172 CB LYS A 11 -5.923 -11.205 4.333 1.00 13.43 C ATOM 173 CG LYS A 11 -5.129 -11.776 3.125 1.00 16.69 C ATOM 174 CD LYS A 11 -5.970 -11.925 1.920 1.00 17.92 C ATOM 175 CE LYS A 11 -5.019 -12.043 0.716 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.776 -12.263 -0.564 1.00 21.93 N ATOM 0 H LYS A 11 -6.644 -9.791 6.205 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.988 -12.068 6.061 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.785 -11.847 4.516 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.309 -10.222 4.061 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.290 -11.117 2.900 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -4.710 -12.745 3.394 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.603 -12.809 1.999 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.633 -11.068 1.805 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.420 -11.136 0.634 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.327 -12.869 0.877 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.131 -12.637 -1.289 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.544 -12.944 -0.400 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.177 -11.360 -0.890 1.00 21.93 H new ATOM 190 N THR A 12 -2.689 -11.260 5.211 1.00 9.63 N ATOM 191 CA THR A 12 -1.388 -10.941 4.728 1.00 9.85 C ATOM 192 C THR A 12 -1.359 -11.091 3.241 1.00 11.66 C ATOM 193 O THR A 12 -1.018 -12.200 2.835 1.00 12.33 O ATOM 194 CB THR A 12 -0.286 -11.839 5.354 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.334 -11.840 6.749 1.00 10.91 O ATOM 196 CG2 THR A 12 1.114 -11.321 5.015 1.00 9.63 C ATOM 0 H THR A 12 -2.758 -12.243 5.475 1.00 9.63 H new ATOM 0 HA THR A 12 -1.177 -9.911 5.016 1.00 9.85 H new ATOM 0 HB THR A 12 -0.471 -12.833 4.947 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.472 -12.270 7.104 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.862 -11.971 5.468 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.247 -11.313 3.933 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.231 -10.309 5.402 1.00 9.63 H new ATOM 204 N ILE A 13 -1.681 -10.067 2.435 1.00 10.42 N ATOM 205 CA ILE A 13 -1.386 -10.010 0.988 1.00 11.84 C ATOM 206 C ILE A 13 0.157 -9.943 0.836 1.00 10.55 C ATOM 207 O ILE A 13 0.852 -9.197 1.525 1.00 11.92 O ATOM 208 CB ILE A 13 -2.023 -8.797 0.187 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.392 -8.303 0.684 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.109 -9.333 -1.297 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.808 -6.950 -0.044 1.00 16.46 C ATOM 0 H ILE A 13 -2.164 -9.236 2.775 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.841 -10.900 0.552 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.406 -7.908 0.313 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.147 -9.067 0.499 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.356 -8.144 1.762 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.540 -8.563 -1.937 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.109 -9.583 -1.652 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.738 -10.223 -1.327 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.780 -6.622 0.325 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.063 -6.182 0.163 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.867 -7.119 -1.119 1.00 16.46 H new ATOM 223 N THR A 14 0.682 -10.742 -0.076 1.00 9.39 N ATOM 224 CA THR A 14 2.113 -10.844 -0.362 1.00 9.63 C ATOM 225 C THR A 14 2.311 -10.213 -1.713 1.00 11.20 C ATOM 226 O THR A 14 1.788 -10.765 -2.683 1.00 11.63 O ATOM 227 CB THR A 14 2.707 -12.247 -0.405 1.00 10.38 C ATOM 228 OG1 THR A 14 2.476 -12.937 0.769 1.00 16.30 O ATOM 229 CG2 THR A 14 4.174 -12.242 -0.534 1.00 11.66 C ATOM 0 H THR A 14 0.113 -11.358 -0.658 1.00 9.39 H new ATOM 0 HA THR A 14 2.630 -10.356 0.465 1.00 9.63 H new ATOM 0 HB THR A 14 2.228 -12.710 -1.268 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.869 -13.832 0.705 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.541 -13.268 -0.559 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.456 -11.733 -1.455 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.612 -11.721 0.317 1.00 11.66 H new ATOM 237 N LEU A 15 2.976 -9.035 -1.806 1.00 8.29 N ATOM 238 CA LEU A 15 3.128 -8.239 -2.992 1.00 9.03 C ATOM 239 C LEU A 15 4.580 -8.150 -3.478 1.00 8.59 C ATOM 240 O LEU A 15 5.527 -8.083 -2.678 1.00 7.79 O ATOM 241 CB LEU A 15 2.685 -6.767 -2.872 1.00 11.08 C ATOM 242 CG LEU A 15 1.353 -6.393 -2.222 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.076 -4.884 -2.263 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.226 -7.090 -3.023 1.00 15.27 C ATOM 0 H LEU A 15 3.436 -8.615 -0.998 1.00 8.29 H new ATOM 0 HA LEU A 15 2.478 -8.778 -3.681 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.466 -6.243 -2.322 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.674 -6.354 -3.881 1.00 11.08 H new ATOM 0 HG LEU A 15 1.393 -6.704 -1.178 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.117 -4.677 -1.788 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.867 -4.354 -1.731 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.047 -4.547 -3.299 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.740 -6.842 -2.583 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.251 -6.749 -4.058 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.372 -8.170 -2.993 1.00 15.27 H new ATOM 256 N GLU A 16 4.747 -8.150 -4.813 1.00 11.04 N ATOM 257 CA GLU A 16 5.997 -7.929 -5.499 1.00 11.50 C ATOM 258 C GLU A 16 6.054 -6.438 -5.818 1.00 10.13 C ATOM 259 O GLU A 16 5.142 -5.860 -6.459 1.00 9.83 O ATOM 260 CB GLU A 16 5.958 -8.764 -6.750 1.00 17.22 C ATOM 261 CG GLU A 16 7.194 -8.605 -7.677 1.00 23.33 C ATOM 262 CD GLU A 16 8.477 -9.077 -7.028 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.548 -10.154 -6.447 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.466 -8.325 -7.050 1.00 28.90 O ATOM 0 H GLU A 16 3.971 -8.313 -5.455 1.00 11.04 H new ATOM 0 HA GLU A 16 6.876 -8.206 -4.918 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.866 -9.813 -6.467 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.062 -8.506 -7.315 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.028 -9.168 -8.596 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.299 -7.557 -7.959 1.00 23.33 H new ATOM 271 N VAL A 17 7.169 -5.780 -5.525 1.00 8.99 N ATOM 272 CA VAL A 17 7.366 -4.384 -5.803 1.00 8.85 C ATOM 273 C VAL A 17 8.771 -4.113 -6.163 1.00 8.04 C ATOM 274 O VAL A 17 9.687 -4.939 -6.172 1.00 8.99 O ATOM 275 CB VAL A 17 6.975 -3.476 -4.600 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.439 -3.512 -4.321 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.779 -3.888 -3.292 1.00 10.54 C ATOM 0 H VAL A 17 7.972 -6.222 -5.078 1.00 8.99 H new ATOM 0 HA VAL A 17 6.711 -4.146 -6.641 1.00 8.85 H new ATOM 0 HB VAL A 17 7.243 -2.455 -4.870 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.208 -2.866 -3.474 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.901 -3.162 -5.202 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.135 -4.533 -4.091 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.488 -3.239 -2.466 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.553 -4.923 -3.037 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.849 -3.785 -3.475 1.00 10.54 H new ATOM 287 N GLU A 18 9.071 -2.821 -6.429 1.00 7.29 N ATOM 288 CA GLU A 18 10.406 -2.324 -6.797 1.00 7.08 C ATOM 289 C GLU A 18 10.612 -1.000 -6.080 1.00 6.45 C ATOM 290 O GLU A 18 9.624 -0.384 -5.730 1.00 5.28 O ATOM 291 CB GLU A 18 10.655 -2.045 -8.308 1.00 10.28 C ATOM 292 CG GLU A 18 10.746 -3.385 -9.128 1.00 12.65 C ATOM 293 CD GLU A 18 11.969 -4.276 -8.765 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.079 -3.760 -8.535 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.834 -5.559 -8.846 1.00 18.17 O ATOM 0 H GLU A 18 8.370 -2.081 -6.391 1.00 7.29 H new ATOM 0 HA GLU A 18 11.092 -3.123 -6.518 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.849 -1.428 -8.704 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.579 -1.479 -8.428 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.833 -3.958 -8.967 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.789 -3.145 -10.190 1.00 12.65 H new ATOM 302 N PRO A 19 11.815 -0.498 -5.780 1.00 7.24 N ATOM 303 CA PRO A 19 11.957 0.581 -4.826 1.00 7.07 C ATOM 304 C PRO A 19 11.334 1.924 -5.237 1.00 6.65 C ATOM 305 O PRO A 19 11.018 2.745 -4.341 1.00 6.37 O ATOM 306 CB PRO A 19 13.480 0.835 -4.758 1.00 7.61 C ATOM 307 CG PRO A 19 13.948 -0.635 -4.770 1.00 8.16 C ATOM 308 CD PRO A 19 13.045 -1.296 -5.842 1.00 7.49 C ATOM 0 HA PRO A 19 11.456 0.276 -3.907 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.854 1.406 -5.608 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.782 1.369 -3.857 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.004 -0.718 -5.029 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.821 -1.104 -3.794 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.500 -1.258 -6.832 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.856 -2.346 -5.618 1.00 7.49 H new ATOM 316 N SER A 20 11.183 2.110 -6.569 1.00 6.80 N ATOM 317 CA SER A 20 10.811 3.389 -7.124 1.00 6.28 C ATOM 318 C SER A 20 9.376 3.311 -7.557 1.00 8.45 C ATOM 319 O SER A 20 8.862 4.267 -8.141 1.00 7.26 O ATOM 320 CB SER A 20 11.680 3.697 -8.375 1.00 8.57 C ATOM 321 OG SER A 20 11.937 2.553 -9.208 1.00 11.13 O ATOM 0 H SER A 20 11.318 1.375 -7.263 1.00 6.80 H new ATOM 0 HA SER A 20 10.958 4.169 -6.377 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.182 4.462 -8.971 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.632 4.116 -8.049 1.00 8.57 H new ATOM 0 HG SER A 20 12.486 2.823 -9.974 1.00 11.13 H new ATOM 327 N ASP A 21 8.639 2.240 -7.197 1.00 7.50 N ATOM 328 CA ASP A 21 7.173 2.228 -7.371 1.00 7.70 C ATOM 329 C ASP A 21 6.473 3.232 -6.396 1.00 7.08 C ATOM 330 O ASP A 21 6.777 3.337 -5.224 1.00 8.11 O ATOM 331 CB ASP A 21 6.616 0.850 -7.069 1.00 11.00 C ATOM 332 CG ASP A 21 7.093 -0.102 -8.093 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.446 0.280 -9.211 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.970 -1.330 -7.858 1.00 14.36 O ATOM 0 H ASP A 21 9.026 1.388 -6.792 1.00 7.50 H new ATOM 0 HA ASP A 21 6.977 2.513 -8.405 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.933 0.526 -6.078 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.526 0.879 -7.061 1.00 11.00 H new ATOM 339 N THR A 22 5.565 3.948 -6.954 1.00 5.37 N ATOM 340 CA THR A 22 4.769 4.828 -6.149 1.00 6.01 C ATOM 341 C THR A 22 3.760 4.043 -5.279 1.00 8.01 C ATOM 342 O THR A 22 3.451 2.865 -5.525 1.00 8.11 O ATOM 343 CB THR A 22 4.120 5.904 -6.874 1.00 8.92 C ATOM 344 OG1 THR A 22 3.155 5.399 -7.798 1.00 10.22 O ATOM 345 CG2 THR A 22 5.003 6.865 -7.719 1.00 9.65 C ATOM 0 H THR A 22 5.349 3.950 -7.951 1.00 5.37 H new ATOM 0 HA THR A 22 5.484 5.326 -5.495 1.00 6.01 H new ATOM 0 HB THR A 22 3.711 6.478 -6.043 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.733 6.146 -8.271 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.371 7.613 -8.198 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.724 7.362 -7.070 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.534 6.295 -8.482 1.00 9.65 H new ATOM 353 N ILE A 23 3.235 4.699 -4.242 1.00 8.32 N ATOM 354 CA ILE A 23 2.162 4.186 -3.464 1.00 9.92 C ATOM 355 C ILE A 23 0.882 3.929 -4.277 1.00 10.01 C ATOM 356 O ILE A 23 0.103 2.977 -4.059 1.00 8.71 O ATOM 357 CB ILE A 23 1.914 4.917 -2.158 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.246 5.230 -1.504 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.871 4.190 -1.297 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.999 4.025 -1.014 1.00 12.30 C ATOM 0 H ILE A 23 3.565 5.614 -3.934 1.00 8.32 H new ATOM 0 HA ILE A 23 2.512 3.203 -3.151 1.00 9.92 H new ATOM 0 HB ILE A 23 1.445 5.886 -2.328 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.870 5.767 -2.219 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.074 5.902 -0.663 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.718 4.741 -0.369 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.071 4.128 -1.842 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.225 3.185 -1.068 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.938 4.342 -0.561 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.399 3.498 -0.273 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.207 3.360 -1.852 1.00 12.30 H new ATOM 372 N GLU A 24 0.641 4.743 -5.313 1.00 9.54 N ATOM 373 CA GLU A 24 -0.469 4.562 -6.231 1.00 11.81 C ATOM 374 C GLU A 24 -0.275 3.346 -7.133 1.00 11.14 C ATOM 375 O GLU A 24 -1.228 2.623 -7.417 1.00 10.62 O ATOM 376 CB GLU A 24 -0.805 5.893 -6.942 1.00 19.24 C ATOM 377 CG GLU A 24 -2.048 5.829 -7.860 1.00 27.76 C ATOM 378 CD GLU A 24 -2.461 7.209 -8.285 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.845 8.022 -7.387 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.413 7.490 -9.521 1.00 36.51 O ATOM 0 H GLU A 24 1.223 5.552 -5.532 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.370 4.310 -5.672 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.964 6.664 -6.188 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.055 6.201 -7.536 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.828 5.223 -8.738 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.870 5.343 -7.335 1.00 27.76 H new ATOM 387 N ASN A 25 1.012 2.902 -7.493 1.00 9.43 N ATOM 388 CA ASN A 25 1.289 1.592 -8.146 1.00 10.96 C ATOM 389 C ASN A 25 1.097 0.444 -7.186 1.00 9.68 C ATOM 390 O ASN A 25 0.565 -0.569 -7.626 1.00 9.33 O ATOM 391 CB ASN A 25 2.694 1.554 -8.758 1.00 16.78 C ATOM 392 CG ASN A 25 2.736 2.311 -10.118 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.186 1.795 -11.138 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.245 3.582 -10.127 1.00 24.70 N ATOM 0 H ASN A 25 1.852 3.456 -7.328 1.00 9.43 H new ATOM 0 HA ASN A 25 0.567 1.480 -8.955 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.407 2.003 -8.067 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.002 0.519 -8.905 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.189 4.148 -10.974 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.680 3.963 -9.287 1.00 24.70 H new ATOM 401 N VAL A 26 1.519 0.547 -5.904 1.00 6.52 N ATOM 402 CA VAL A 26 1.197 -0.487 -4.975 1.00 5.53 C ATOM 403 C VAL A 26 -0.285 -0.778 -4.687 1.00 4.42 C ATOM 404 O VAL A 26 -0.652 -1.939 -4.549 1.00 3.40 O ATOM 405 CB VAL A 26 1.922 -0.201 -3.619 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.649 -1.411 -2.664 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.412 -0.201 -3.920 1.00 8.12 C ATOM 0 H VAL A 26 2.065 1.322 -5.527 1.00 6.52 H new ATOM 0 HA VAL A 26 1.542 -1.389 -5.481 1.00 5.53 H new ATOM 0 HB VAL A 26 1.587 0.735 -3.173 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.144 -1.239 -1.708 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.576 -1.513 -2.504 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.037 -2.325 -3.114 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.968 -0.005 -3.003 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.702 -1.172 -4.320 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.635 0.575 -4.653 1.00 8.12 H new ATOM 417 N LYS A 27 -1.134 0.219 -4.763 1.00 2.64 N ATOM 418 CA LYS A 27 -2.619 0.051 -4.794 1.00 4.14 C ATOM 419 C LYS A 27 -3.134 -0.633 -6.032 1.00 5.58 C ATOM 420 O LYS A 27 -4.067 -1.455 -5.886 1.00 4.11 O ATOM 421 CB LYS A 27 -3.370 1.376 -4.648 1.00 3.97 C ATOM 422 CG LYS A 27 -2.950 2.183 -3.410 1.00 7.45 C ATOM 423 CD LYS A 27 -3.493 3.659 -3.332 1.00 9.02 C ATOM 424 CE LYS A 27 -2.875 4.460 -2.144 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.719 5.563 -1.643 1.00 15.47 N ATOM 0 H LYS A 27 -0.837 1.194 -4.807 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.815 -0.588 -3.933 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.203 1.980 -5.540 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.440 1.175 -4.595 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.283 1.647 -2.521 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.861 2.215 -3.374 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.273 4.174 -4.267 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.578 3.639 -3.227 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.675 3.771 -1.323 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.915 4.869 -2.459 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.250 6.020 -0.835 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.863 6.262 -2.400 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.640 5.186 -1.341 1.00 15.47 H new ATOM 439 N ALA A 28 -2.623 -0.376 -7.265 1.00 6.61 N ATOM 440 CA ALA A 28 -2.954 -1.116 -8.455 1.00 7.74 C ATOM 441 C ALA A 28 -2.611 -2.613 -8.360 1.00 9.17 C ATOM 442 O ALA A 28 -3.469 -3.417 -8.641 1.00 11.45 O ATOM 443 CB ALA A 28 -2.195 -0.454 -9.651 1.00 7.68 C ATOM 0 H ALA A 28 -1.955 0.376 -7.435 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.034 -1.075 -8.597 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.425 -0.992 -10.570 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.509 0.585 -9.751 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.121 -0.493 -9.467 1.00 7.68 H new ATOM 449 N LYS A 29 -1.388 -2.935 -7.844 1.00 8.96 N ATOM 450 CA LYS A 29 -0.980 -4.310 -7.524 1.00 7.90 C ATOM 451 C LYS A 29 -1.974 -5.003 -6.542 1.00 6.92 C ATOM 452 O LYS A 29 -2.454 -6.121 -6.787 1.00 6.87 O ATOM 453 CB LYS A 29 0.458 -4.354 -6.945 1.00 10.28 C ATOM 454 CG LYS A 29 1.492 -3.769 -7.845 1.00 14.94 C ATOM 455 CD LYS A 29 2.856 -3.466 -7.267 1.00 19.69 C ATOM 456 CE LYS A 29 3.648 -2.495 -8.123 1.00 22.63 C ATOM 457 NZ LYS A 29 3.456 -2.789 -9.569 1.00 24.98 N ATOM 0 H LYS A 29 -0.669 -2.240 -7.644 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.995 -4.864 -8.463 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.473 -3.819 -5.995 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.721 -5.390 -6.731 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.630 -4.453 -8.682 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.091 -2.842 -8.254 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.739 -3.051 -6.266 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.417 -4.395 -7.163 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.332 -1.474 -7.910 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.706 -2.561 -7.871 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.215 -2.338 -10.119 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.483 -3.818 -9.721 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.536 -2.417 -9.880 1.00 24.98 H new ATOM 471 N ILE A 30 -2.457 -4.323 -5.456 1.00 4.57 N ATOM 472 CA ILE A 30 -3.555 -4.681 -4.582 1.00 5.58 C ATOM 473 C ILE A 30 -4.914 -5.011 -5.210 1.00 7.26 C ATOM 474 O ILE A 30 -5.511 -6.035 -4.903 1.00 9.46 O ATOM 475 CB ILE A 30 -3.767 -3.724 -3.428 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.617 -3.743 -2.380 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.037 -4.070 -2.597 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.779 -2.674 -1.264 1.00 2.00 C ATOM 0 H ILE A 30 -2.033 -3.440 -5.170 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.170 -5.635 -4.222 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.838 -2.757 -3.925 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.570 -4.731 -1.922 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.668 -3.583 -2.891 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.144 -3.355 -1.782 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.916 -4.023 -3.239 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.941 -5.075 -2.187 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.943 -2.744 -0.569 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.796 -1.680 -1.712 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.712 -2.846 -0.728 1.00 2.00 H new ATOM 490 N GLN A 31 -5.358 -4.144 -6.191 1.00 7.06 N ATOM 491 CA GLN A 31 -6.566 -4.333 -6.959 1.00 8.67 C ATOM 492 C GLN A 31 -6.687 -5.655 -7.689 1.00 10.90 C ATOM 493 O GLN A 31 -7.743 -6.271 -7.752 1.00 9.63 O ATOM 494 CB GLN A 31 -6.837 -3.214 -7.942 1.00 9.12 C ATOM 495 CG GLN A 31 -8.290 -3.155 -8.392 1.00 10.76 C ATOM 496 CD GLN A 31 -8.687 -1.889 -9.225 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.782 -1.184 -9.613 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.955 -1.767 -9.569 1.00 14.76 N ATOM 0 H GLN A 31 -4.852 -3.295 -6.443 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.323 -4.330 -6.174 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.565 -2.263 -7.485 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.197 -3.342 -8.815 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.504 -4.042 -8.988 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.928 -3.202 -7.509 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.650 -2.410 -9.190 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.240 -1.030 -10.214 1.00 14.76 H new ATOM 507 N ASP A 32 -5.553 -6.160 -8.264 1.00 10.93 N ATOM 508 CA ASP A 32 -5.418 -7.485 -8.922 1.00 14.01 C ATOM 509 C ASP A 32 -5.766 -8.658 -7.993 1.00 14.04 C ATOM 510 O ASP A 32 -6.524 -9.565 -8.427 1.00 13.39 O ATOM 511 CB ASP A 32 -4.003 -7.667 -9.505 1.00 18.01 C ATOM 512 CG ASP A 32 -3.773 -6.613 -10.536 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.523 -6.576 -11.549 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.875 -5.720 -10.417 1.00 26.29 O ATOM 0 H ASP A 32 -4.681 -5.631 -8.279 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.146 -7.497 -9.733 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.256 -7.592 -8.715 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.901 -8.658 -9.948 1.00 18.01 H new ATOM 519 N LYS A 33 -5.227 -8.608 -6.746 1.00 14.22 N ATOM 520 CA LYS A 33 -5.375 -9.538 -5.666 1.00 14.00 C ATOM 521 C LYS A 33 -6.759 -9.476 -5.030 1.00 12.37 C ATOM 522 O LYS A 33 -7.375 -10.530 -4.870 1.00 12.17 O ATOM 523 CB LYS A 33 -4.240 -9.280 -4.760 1.00 18.62 C ATOM 524 CG LYS A 33 -2.832 -9.446 -5.291 1.00 24.00 C ATOM 525 CD LYS A 33 -2.135 -10.720 -4.778 1.00 27.61 C ATOM 526 CE LYS A 33 -0.605 -10.807 -5.030 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.355 -11.032 -6.482 1.00 30.06 N ATOM 0 H LYS A 33 -4.626 -7.829 -6.477 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.333 -10.575 -5.999 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.336 -8.258 -4.393 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.348 -9.940 -3.899 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.862 -9.470 -6.380 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.239 -8.576 -5.008 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.312 -10.800 -3.705 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.610 -11.583 -5.245 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.119 -9.888 -4.704 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.175 -11.620 -4.445 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.669 -11.091 -6.653 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.807 -11.921 -6.778 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.753 -10.242 -7.029 1.00 30.06 H new ATOM 541 N GLU A 34 -7.295 -8.262 -4.627 1.00 10.11 N ATOM 542 CA GLU A 34 -8.500 -8.168 -3.838 1.00 10.07 C ATOM 543 C GLU A 34 -9.761 -7.578 -4.495 1.00 9.32 C ATOM 544 O GLU A 34 -10.876 -7.858 -4.006 1.00 11.61 O ATOM 545 CB GLU A 34 -8.213 -7.290 -2.652 1.00 14.77 C ATOM 546 CG GLU A 34 -7.299 -7.907 -1.585 1.00 18.75 C ATOM 547 CD GLU A 34 -7.815 -9.172 -0.897 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.658 -9.095 0.037 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.351 -10.284 -1.239 1.00 25.19 O ATOM 0 H GLU A 34 -6.879 -7.359 -4.858 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.739 -9.210 -3.625 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.757 -6.366 -3.007 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.159 -7.019 -2.184 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.340 -8.137 -2.048 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.111 -7.154 -0.820 1.00 18.75 H new ATOM 556 N GLY A 35 -9.586 -6.903 -5.627 1.00 7.22 N ATOM 557 CA GLY A 35 -10.707 -6.229 -6.286 1.00 6.29 C ATOM 558 C GLY A 35 -11.185 -4.969 -5.546 1.00 6.93 C ATOM 559 O GLY A 35 -12.397 -4.787 -5.415 1.00 7.41 O ATOM 0 H GLY A 35 -8.690 -6.807 -6.105 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.412 -5.956 -7.299 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.540 -6.927 -6.374 1.00 6.29 H new ATOM 563 N ILE A 36 -10.316 -4.084 -5.078 1.00 5.86 N ATOM 564 CA ILE A 36 -10.691 -2.901 -4.293 1.00 6.07 C ATOM 565 C ILE A 36 -9.964 -1.796 -5.070 1.00 6.36 C ATOM 566 O ILE A 36 -8.743 -1.766 -5.053 1.00 6.18 O ATOM 567 CB ILE A 36 -10.143 -2.892 -2.857 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.688 -4.107 -2.043 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.508 -1.478 -2.270 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.377 -4.209 -0.562 1.00 9.49 C ATOM 0 H ILE A 36 -9.311 -4.163 -5.232 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.773 -2.822 -4.187 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.062 -3.024 -2.811 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.773 -4.113 -2.151 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.315 -5.014 -2.519 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.145 -1.405 -1.245 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.042 -0.701 -2.876 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.590 -1.348 -2.282 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.832 -5.112 -0.156 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.297 -4.251 -0.419 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.778 -3.337 -0.045 1.00 9.49 H new ATOM 582 N PRO A 37 -10.598 -0.849 -5.709 1.00 8.65 N ATOM 583 CA PRO A 37 -9.992 0.217 -6.417 1.00 9.18 C ATOM 584 C PRO A 37 -9.020 1.161 -5.732 1.00 9.85 C ATOM 585 O PRO A 37 -9.268 1.423 -4.574 1.00 8.51 O ATOM 586 CB PRO A 37 -11.178 1.004 -6.956 1.00 11.42 C ATOM 587 CG PRO A 37 -12.341 -0.039 -6.992 1.00 9.27 C ATOM 588 CD PRO A 37 -12.032 -0.667 -5.666 1.00 8.33 C ATOM 0 HA PRO A 37 -9.312 -0.246 -7.133 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.421 1.850 -6.313 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.972 1.406 -7.948 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.330 0.416 -7.036 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.273 -0.735 -7.828 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.331 -0.025 -4.838 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.554 -1.615 -5.539 1.00 8.33 H new ATOM 596 N PRO A 38 -8.018 1.751 -6.399 1.00 8.71 N ATOM 597 CA PRO A 38 -7.046 2.671 -5.690 1.00 9.08 C ATOM 598 C PRO A 38 -7.722 3.928 -5.274 1.00 9.28 C ATOM 599 O PRO A 38 -7.192 4.650 -4.372 1.00 6.50 O ATOM 600 CB PRO A 38 -6.031 3.093 -6.722 1.00 10.31 C ATOM 601 CG PRO A 38 -5.995 1.743 -7.514 1.00 10.81 C ATOM 602 CD PRO A 38 -7.414 1.217 -7.581 1.00 12.00 C ATOM 0 HA PRO A 38 -6.626 2.158 -4.825 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.359 3.938 -7.327 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.067 3.365 -6.291 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.595 1.897 -8.516 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.343 1.024 -7.018 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.926 1.554 -8.482 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.439 0.127 -7.589 1.00 12.00 H new ATOM 610 N ASP A 39 -8.945 4.197 -5.798 1.00 11.20 N ATOM 611 CA ASP A 39 -9.848 5.156 -5.263 1.00 14.96 C ATOM 612 C ASP A 39 -10.231 4.940 -3.821 1.00 13.99 C ATOM 613 O ASP A 39 -10.417 5.902 -3.049 1.00 13.75 O ATOM 614 CB ASP A 39 -11.122 5.194 -6.182 1.00 24.16 C ATOM 615 CG ASP A 39 -10.845 5.676 -7.601 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.448 6.857 -7.839 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.868 4.850 -8.536 1.00 34.22 O ATOM 0 H ASP A 39 -9.306 3.722 -6.625 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.329 6.115 -5.257 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.556 4.195 -6.226 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.867 5.846 -5.726 1.00 24.16 H new ATOM 622 N GLN A 40 -10.388 3.677 -3.392 1.00 11.60 N ATOM 623 CA GLN A 40 -10.901 3.364 -2.113 1.00 10.76 C ATOM 624 C GLN A 40 -9.794 2.865 -1.160 1.00 8.01 C ATOM 625 O GLN A 40 -10.082 2.408 -0.099 1.00 8.96 O ATOM 626 CB GLN A 40 -12.015 2.356 -2.308 1.00 11.14 C ATOM 627 CG GLN A 40 -13.329 2.923 -2.833 1.00 14.85 C ATOM 628 CD GLN A 40 -14.401 1.786 -3.057 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.221 0.612 -2.808 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.521 2.250 -3.542 1.00 18.16 N ATOM 0 H GLN A 40 -10.150 2.859 -3.954 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.302 4.255 -1.629 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.669 1.588 -2.999 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.207 1.864 -1.355 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.718 3.657 -2.127 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.151 3.447 -3.772 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.620 3.247 -3.733 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.297 1.615 -3.729 1.00 18.16 H new ATOM 639 N GLN A 41 -8.519 3.171 -1.492 1.00 6.52 N ATOM 640 CA GLN A 41 -7.394 2.734 -0.667 1.00 3.87 C ATOM 641 C GLN A 41 -6.580 3.871 -0.071 1.00 4.79 C ATOM 642 O GLN A 41 -6.253 4.746 -0.802 1.00 6.34 O ATOM 643 CB GLN A 41 -6.464 1.863 -1.525 1.00 4.20 C ATOM 644 CG GLN A 41 -7.057 0.514 -1.969 1.00 3.20 C ATOM 645 CD GLN A 41 -5.975 -0.200 -2.793 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.867 -0.410 -2.204 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.347 -0.550 -4.021 1.00 7.13 N ATOM 0 H GLN A 41 -8.256 3.712 -2.316 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.820 2.183 0.172 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.181 2.427 -2.413 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.550 1.673 -0.963 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.342 -0.086 -1.105 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.958 0.665 -2.563 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.279 -0.310 -4.360 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.701 -1.059 -4.624 1.00 7.13 H new ATOM 656 N ARG A 42 -6.151 3.765 1.241 1.00 5.73 N ATOM 657 CA ARG A 42 -5.067 4.550 1.804 1.00 6.97 C ATOM 658 C ARG A 42 -4.081 3.560 2.373 1.00 7.15 C ATOM 659 O ARG A 42 -4.434 2.701 3.167 1.00 7.33 O ATOM 660 CB ARG A 42 -5.614 5.535 2.947 1.00 13.23 C ATOM 661 CG ARG A 42 -6.390 6.791 2.453 1.00 21.27 C ATOM 662 CD ARG A 42 -6.287 7.928 3.483 1.00 26.14 C ATOM 663 NE ARG A 42 -7.043 9.070 2.930 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.249 9.361 3.365 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.986 8.562 4.177 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.791 10.484 2.997 1.00 36.39 N ATOM 0 H ARG A 42 -6.573 3.120 1.910 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.599 5.179 1.047 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.268 4.965 3.607 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.767 5.868 3.547 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.986 7.122 1.496 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.437 6.537 2.287 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.700 7.619 4.443 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.246 8.200 3.656 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.622 9.643 2.198 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.610 7.667 4.491 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.917 8.856 4.474 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.281 11.119 2.383 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.726 10.730 3.323 1.00 36.39 H new ATOM 680 N LEU A 43 -2.833 3.634 2.011 1.00 4.65 N ATOM 681 CA LEU A 43 -1.806 2.739 2.474 1.00 3.51 C ATOM 682 C LEU A 43 -0.960 3.438 3.546 1.00 5.56 C ATOM 683 O LEU A 43 -0.729 4.664 3.579 1.00 4.19 O ATOM 684 CB LEU A 43 -0.894 2.245 1.300 1.00 3.74 C ATOM 685 CG LEU A 43 -1.552 1.410 0.168 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.572 0.799 -0.818 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.439 0.335 0.757 1.00 6.41 C ATOM 0 H LEU A 43 -2.488 4.342 1.363 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.289 1.861 2.903 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.433 3.121 0.844 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.089 1.649 1.730 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.146 2.118 -0.409 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.120 0.234 -1.573 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.001 1.591 -1.301 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.109 0.132 -0.289 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.894 -0.243 -0.048 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.842 -0.326 1.385 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.221 0.798 1.358 1.00 6.41 H new ATOM 699 N ILE A 44 -0.662 2.578 4.528 1.00 4.58 N ATOM 700 CA ILE A 44 -0.186 2.979 5.882 1.00 5.55 C ATOM 701 C ILE A 44 1.067 2.143 6.170 1.00 5.46 C ATOM 702 O ILE A 44 1.210 0.985 5.819 1.00 6.04 O ATOM 703 CB ILE A 44 -1.235 2.533 6.952 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.671 3.074 6.705 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.858 3.008 8.359 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.724 4.612 6.693 1.00 13.90 C ATOM 0 H ILE A 44 -0.742 1.567 4.415 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.016 4.055 5.918 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.227 1.446 6.866 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.041 2.693 5.753 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.337 2.696 7.481 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.614 2.676 9.070 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.110 2.590 8.637 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.801 4.096 8.372 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.749 4.939 6.517 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.381 4.995 7.654 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.080 4.992 5.900 1.00 13.90 H new ATOM 718 N PHE A 45 2.041 2.768 6.923 1.00 6.75 N ATOM 719 CA PHE A 45 3.168 2.099 7.508 1.00 4.70 C ATOM 720 C PHE A 45 3.546 2.671 8.809 1.00 6.34 C ATOM 721 O PHE A 45 3.691 3.860 8.893 1.00 5.45 O ATOM 722 CB PHE A 45 4.384 2.207 6.497 1.00 5.51 C ATOM 723 CG PHE A 45 5.606 1.487 6.965 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.573 0.114 7.237 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.777 2.175 7.156 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.683 -0.527 7.846 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.893 1.533 7.761 1.00 6.64 C ATOM 728 CZ PHE A 45 7.870 0.187 8.034 1.00 6.84 C ATOM 0 H PHE A 45 2.025 3.769 7.118 1.00 6.75 H new ATOM 0 HA PHE A 45 2.899 1.058 7.689 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.081 1.804 5.531 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.627 3.258 6.342 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.696 -0.462 6.981 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.852 3.207 6.846 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.611 -1.557 8.161 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.770 2.112 8.009 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.758 -0.314 8.390 1.00 6.84 H new ATOM 738 N ALA A 46 3.730 1.809 9.804 1.00 6.53 N ATOM 739 CA ALA A 46 4.123 2.183 11.176 1.00 7.15 C ATOM 740 C ALA A 46 3.399 3.266 11.804 1.00 9.00 C ATOM 741 O ALA A 46 3.882 4.251 12.291 1.00 11.15 O ATOM 742 CB ALA A 46 5.656 2.340 11.164 1.00 8.99 C ATOM 0 H ALA A 46 3.609 0.803 9.685 1.00 6.53 H new ATOM 0 HA ALA A 46 3.818 1.383 11.850 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.001 2.618 12.160 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.116 1.396 10.871 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.937 3.117 10.453 1.00 8.99 H new ATOM 748 N GLY A 47 2.020 3.240 11.804 1.00 9.35 N ATOM 749 CA GLY A 47 1.150 4.379 12.209 1.00 11.68 C ATOM 750 C GLY A 47 0.974 5.649 11.316 1.00 11.14 C ATOM 751 O GLY A 47 0.230 6.541 11.721 1.00 13.93 O ATOM 0 H GLY A 47 1.490 2.417 11.519 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.153 3.970 12.372 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.515 4.724 13.176 1.00 11.68 H new ATOM 755 N LYS A 48 1.587 5.663 10.082 1.00 10.47 N ATOM 756 CA LYS A 48 1.531 6.837 9.254 1.00 8.82 C ATOM 757 C LYS A 48 1.052 6.609 7.821 1.00 7.68 C ATOM 758 O LYS A 48 1.431 5.626 7.207 1.00 6.47 O ATOM 759 CB LYS A 48 2.907 7.596 9.140 1.00 9.74 C ATOM 760 CG LYS A 48 3.462 8.029 10.521 1.00 14.14 C ATOM 761 CD LYS A 48 4.440 9.176 10.385 1.00 16.32 C ATOM 762 CE LYS A 48 5.650 9.075 9.404 1.00 20.04 C ATOM 763 NZ LYS A 48 6.604 8.026 9.772 1.00 23.92 N ATOM 0 H LYS A 48 2.102 4.878 9.683 1.00 10.47 H new ATOM 0 HA LYS A 48 0.793 7.434 9.789 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.634 6.952 8.646 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.781 8.477 8.510 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.638 8.326 11.170 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.955 7.182 10.999 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.865 10.056 10.097 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.846 9.371 11.377 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.279 8.883 8.397 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.167 10.034 9.375 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.384 8.009 9.084 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.984 8.219 10.721 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.123 7.104 9.773 1.00 23.92 H new ATOM 777 N GLN A 49 0.186 7.490 7.313 1.00 8.89 N ATOM 778 CA GLN A 49 -0.168 7.573 5.910 1.00 7.18 C ATOM 779 C GLN A 49 1.049 7.774 4.931 1.00 8.23 C ATOM 780 O GLN A 49 2.091 8.415 5.247 1.00 9.70 O ATOM 781 CB GLN A 49 -1.298 8.533 5.595 1.00 11.67 C ATOM 782 CG GLN A 49 -2.664 8.187 6.255 1.00 15.82 C ATOM 783 CD GLN A 49 -3.697 9.170 5.744 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.544 9.753 4.622 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.794 9.364 6.464 1.00 20.67 N ATOM 0 H GLN A 49 -0.296 8.180 7.889 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.554 6.573 5.713 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.003 9.533 5.912 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.433 8.568 4.514 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.957 7.166 6.011 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.588 8.245 7.341 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.905 8.892 7.361 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.526 9.986 6.121 1.00 20.67 H new ATOM 794 N LEU A 50 0.900 7.105 3.716 1.00 6.51 N ATOM 795 CA LEU A 50 1.896 7.085 2.659 1.00 7.41 C ATOM 796 C LEU A 50 1.256 7.738 1.394 1.00 8.27 C ATOM 797 O LEU A 50 0.345 7.190 0.759 1.00 8.34 O ATOM 798 CB LEU A 50 2.310 5.639 2.329 1.00 7.13 C ATOM 799 CG LEU A 50 2.813 4.801 3.552 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.815 3.319 3.223 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.174 5.320 4.008 1.00 9.11 C ATOM 0 H LEU A 50 0.061 6.573 3.484 1.00 6.51 H new ATOM 0 HA LEU A 50 2.785 7.630 2.978 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.459 5.126 1.881 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.098 5.665 1.576 1.00 7.13 H new ATOM 0 HG LEU A 50 2.127 4.922 4.391 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.168 2.755 4.086 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.803 3.001 2.971 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.475 3.135 2.375 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.520 4.734 4.859 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.890 5.231 3.191 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.085 6.366 4.300 1.00 9.11 H new ATOM 813 N GLU A 51 1.756 8.907 1.073 1.00 9.43 N ATOM 814 CA GLU A 51 1.240 9.661 -0.067 1.00 11.90 C ATOM 815 C GLU A 51 1.289 9.007 -1.445 1.00 11.49 C ATOM 816 O GLU A 51 2.253 8.304 -1.869 1.00 9.88 O ATOM 817 CB GLU A 51 2.059 10.962 -0.115 1.00 16.56 C ATOM 818 CG GLU A 51 1.884 11.919 1.121 1.00 26.06 C ATOM 819 CD GLU A 51 0.450 12.454 1.260 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.468 11.913 0.608 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.236 13.405 2.032 1.00 33.44 O ATOM 0 H GLU A 51 2.517 9.364 1.576 1.00 9.43 H new ATOM 0 HA GLU A 51 0.171 9.776 0.112 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.114 10.703 -0.205 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.786 11.509 -1.017 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.157 11.384 2.031 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.573 12.758 1.025 1.00 26.06 H new ATOM 828 N ASP A 52 0.262 9.214 -2.216 1.00 12.71 N ATOM 829 CA ASP A 52 0.018 8.484 -3.407 1.00 16.56 C ATOM 830 C ASP A 52 1.058 8.514 -4.561 1.00 15.83 C ATOM 831 O ASP A 52 1.513 7.498 -5.021 1.00 17.21 O ATOM 832 CB ASP A 52 -1.389 8.966 -3.909 1.00 21.05 C ATOM 833 CG ASP A 52 -2.568 8.826 -2.914 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.650 9.630 -1.953 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.226 7.741 -3.081 1.00 25.82 O ATOM 0 H ASP A 52 -0.447 9.921 -2.019 1.00 12.71 H new ATOM 0 HA ASP A 52 0.087 7.432 -3.129 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.307 10.015 -4.195 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.638 8.408 -4.812 1.00 21.05 H new ATOM 840 N GLY A 53 1.553 9.702 -4.983 1.00 15.00 N ATOM 841 CA GLY A 53 2.663 9.841 -5.931 1.00 11.77 C ATOM 842 C GLY A 53 4.019 9.882 -5.345 1.00 11.10 C ATOM 843 O GLY A 53 4.892 10.646 -5.798 1.00 11.25 O ATOM 0 H GLY A 53 1.181 10.597 -4.665 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.619 9.010 -6.635 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.510 10.754 -6.506 1.00 11.77 H new ATOM 847 N ARG A 54 4.318 9.166 -4.221 1.00 8.53 N ATOM 848 CA ARG A 54 5.504 9.100 -3.508 1.00 9.05 C ATOM 849 C ARG A 54 5.902 7.699 -3.516 1.00 8.96 C ATOM 850 O ARG A 54 5.058 6.838 -3.754 1.00 11.60 O ATOM 851 CB ARG A 54 5.195 9.642 -2.064 1.00 7.97 C ATOM 852 CG ARG A 54 6.432 10.144 -1.320 1.00 9.62 C ATOM 853 CD ARG A 54 7.147 11.340 -1.965 1.00 12.20 C ATOM 854 NE ARG A 54 6.208 12.405 -2.354 1.00 18.23 N ATOM 855 CZ ARG A 54 5.937 12.868 -3.548 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.676 12.513 -4.642 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.834 13.650 -3.699 1.00 23.38 N ATOM 0 H ARG A 54 3.608 8.572 -3.793 1.00 8.53 H new ATOM 0 HA ARG A 54 6.318 9.695 -3.923 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.471 10.454 -2.137 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.727 8.849 -1.480 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.139 10.420 -0.307 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.142 9.321 -1.233 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.881 11.742 -1.267 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.695 11.002 -2.844 1.00 12.20 H new ATOM 0 HE ARG A 54 5.698 12.843 -1.587 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.462 11.871 -4.540 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.441 12.890 -5.560 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.244 13.861 -2.894 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.597 14.026 -4.617 1.00 23.38 H new ATOM 871 N THR A 55 7.235 7.401 -3.333 1.00 9.05 N ATOM 872 CA THR A 55 7.714 6.089 -3.542 1.00 9.03 C ATOM 873 C THR A 55 8.103 5.388 -2.327 1.00 8.15 C ATOM 874 O THR A 55 8.303 5.945 -1.252 1.00 5.91 O ATOM 875 CB THR A 55 8.852 5.929 -4.591 1.00 11.15 C ATOM 876 OG1 THR A 55 10.070 6.454 -4.123 1.00 11.95 O ATOM 877 CG2 THR A 55 8.472 6.639 -5.891 1.00 11.71 C ATOM 0 H THR A 55 7.943 8.076 -3.046 1.00 9.05 H new ATOM 0 HA THR A 55 6.822 5.623 -3.959 1.00 9.03 H new ATOM 0 HB THR A 55 8.981 4.861 -4.769 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.927 7.365 -3.790 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.275 6.521 -6.618 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.555 6.204 -6.289 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.314 7.699 -5.694 1.00 11.71 H new ATOM 885 N LEU A 56 8.297 4.033 -2.432 1.00 6.91 N ATOM 886 CA LEU A 56 8.770 3.230 -1.322 1.00 8.29 C ATOM 887 C LEU A 56 10.118 3.624 -0.772 1.00 8.05 C ATOM 888 O LEU A 56 10.361 3.664 0.432 1.00 10.17 O ATOM 889 CB LEU A 56 8.832 1.717 -1.826 1.00 6.60 C ATOM 890 CG LEU A 56 7.449 1.232 -2.307 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.508 -0.325 -2.603 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.393 1.347 -1.196 1.00 8.64 C ATOM 0 H LEU A 56 8.125 3.503 -3.286 1.00 6.91 H new ATOM 0 HA LEU A 56 8.073 3.383 -0.498 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.553 1.631 -2.639 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.184 1.076 -1.018 1.00 6.60 H new ATOM 0 HG LEU A 56 7.196 1.839 -3.176 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.531 -0.668 -2.943 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.250 -0.520 -3.377 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.783 -0.858 -1.693 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.431 0.997 -1.571 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.694 0.738 -0.343 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.304 2.388 -0.885 1.00 8.64 H new ATOM 904 N SER A 57 11.062 3.952 -1.698 1.00 8.92 N ATOM 905 CA SER A 57 12.323 4.666 -1.475 1.00 9.00 C ATOM 906 C SER A 57 12.219 5.971 -0.694 1.00 9.44 C ATOM 907 O SER A 57 13.086 6.240 0.153 1.00 10.91 O ATOM 908 CB SER A 57 13.047 4.887 -2.795 1.00 10.32 C ATOM 909 OG SER A 57 12.712 6.067 -3.529 1.00 13.59 O ATOM 0 H SER A 57 10.941 3.702 -2.680 1.00 8.92 H new ATOM 0 HA SER A 57 12.902 4.008 -0.826 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.118 4.905 -2.595 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.857 4.025 -3.434 1.00 10.32 H new ATOM 0 HG SER A 57 11.738 6.178 -3.544 1.00 13.59 H new ATOM 915 N ASP A 58 11.149 6.836 -0.938 1.00 9.11 N ATOM 916 CA ASP A 58 11.031 8.102 -0.337 1.00 7.91 C ATOM 917 C ASP A 58 10.598 7.963 1.108 1.00 9.12 C ATOM 918 O ASP A 58 10.877 8.805 1.928 1.00 8.61 O ATOM 919 CB ASP A 58 9.883 8.921 -0.839 1.00 8.41 C ATOM 920 CG ASP A 58 10.122 9.519 -2.231 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.914 10.486 -2.362 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.475 9.026 -3.218 1.00 11.70 O ATOM 0 H ASP A 58 10.380 6.609 -1.569 1.00 9.11 H new ATOM 0 HA ASP A 58 12.006 8.550 -0.529 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.988 8.299 -0.868 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.687 9.729 -0.134 1.00 8.41 H new ATOM 927 N TYR A 59 10.032 6.814 1.553 1.00 7.97 N ATOM 928 CA TYR A 59 9.647 6.635 2.984 1.00 8.45 C ATOM 929 C TYR A 59 10.516 5.685 3.729 1.00 10.98 C ATOM 930 O TYR A 59 10.420 5.422 4.883 1.00 12.95 O ATOM 931 CB TYR A 59 8.202 6.077 3.049 1.00 7.94 C ATOM 932 CG TYR A 59 7.337 7.195 2.750 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.326 8.456 3.390 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.342 7.039 1.756 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.419 9.451 3.101 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.387 8.019 1.417 1.00 6.52 C ATOM 937 CZ TYR A 59 5.457 9.231 2.141 1.00 6.76 C ATOM 938 OH TYR A 59 4.498 10.163 1.880 1.00 7.63 O ATOM 0 H TYR A 59 9.833 6.009 0.959 1.00 7.97 H new ATOM 0 HA TYR A 59 9.747 7.616 3.448 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.061 5.270 2.330 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.985 5.667 4.035 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.071 8.649 4.148 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.312 6.103 1.219 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.462 10.396 3.623 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.646 7.853 0.649 1.00 6.52 H new ATOM 0 HH TYR A 59 4.906 10.938 1.441 1.00 7.63 H new ATOM 948 N ASN A 60 11.513 5.112 2.992 1.00 12.38 N ATOM 949 CA ASN A 60 12.430 4.051 3.396 1.00 13.94 C ATOM 950 C ASN A 60 11.758 2.699 3.719 1.00 14.16 C ATOM 951 O ASN A 60 12.048 2.014 4.705 1.00 14.26 O ATOM 952 CB ASN A 60 13.446 4.538 4.388 1.00 19.23 C ATOM 953 CG ASN A 60 14.137 5.783 3.854 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.655 5.989 2.748 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.059 6.881 4.708 1.00 24.09 N ATOM 0 H ASN A 60 11.693 5.415 2.035 1.00 12.38 H new ATOM 0 HA ASN A 60 13.008 3.788 2.510 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.961 4.760 5.339 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.182 3.757 4.580 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.418 7.787 4.407 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.643 6.779 5.634 1.00 24.09 H new ATOM 962 N ILE A 61 10.841 2.257 2.856 1.00 11.08 N ATOM 963 CA ILE A 61 10.106 1.038 2.940 1.00 11.78 C ATOM 964 C ILE A 61 10.889 -0.051 2.321 1.00 13.74 C ATOM 965 O ILE A 61 11.249 -0.045 1.113 1.00 14.60 O ATOM 966 CB ILE A 61 8.724 1.168 2.338 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.823 2.290 2.928 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.011 -0.207 2.491 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.517 2.576 2.233 1.00 11.42 C ATOM 0 H ILE A 61 10.590 2.797 2.028 1.00 11.08 H new ATOM 0 HA ILE A 61 9.948 0.794 3.990 1.00 11.78 H new ATOM 0 HB ILE A 61 8.871 1.462 1.299 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.603 2.033 3.964 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.403 3.212 2.945 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.009 -0.147 2.066 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.582 -0.973 1.967 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.941 -0.465 3.548 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.996 3.380 2.754 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.711 2.876 1.203 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.898 1.679 2.239 1.00 11.42 H new ATOM 981 N GLN A 62 11.395 -1.046 3.105 1.00 13.97 N ATOM 982 CA GLN A 62 12.323 -2.026 2.663 1.00 15.52 C ATOM 983 C GLN A 62 11.700 -3.305 2.193 1.00 13.94 C ATOM 984 O GLN A 62 10.500 -3.618 2.258 1.00 12.15 O ATOM 985 CB GLN A 62 13.312 -2.280 3.835 1.00 19.53 C ATOM 986 CG GLN A 62 14.214 -1.107 4.277 1.00 26.38 C ATOM 987 CD GLN A 62 15.003 -1.462 5.586 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.407 -1.167 6.639 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.217 -2.030 5.488 1.00 32.71 N ATOM 0 H GLN A 62 11.135 -1.156 4.085 1.00 13.97 H new ATOM 0 HA GLN A 62 12.832 -1.641 1.779 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.732 -2.602 4.700 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.957 -3.113 3.556 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.917 -0.864 3.480 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.604 -0.219 4.446 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.614 -2.230 4.570 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.741 -2.261 6.332 1.00 32.71 H new ATOM 998 N LYS A 63 12.584 -4.234 1.717 1.00 11.73 N ATOM 999 CA LYS A 63 12.211 -5.641 1.445 1.00 11.97 C ATOM 1000 C LYS A 63 11.708 -6.351 2.689 1.00 10.41 C ATOM 1001 O LYS A 63 12.204 -6.165 3.798 1.00 9.59 O ATOM 1002 CB LYS A 63 13.315 -6.536 0.835 1.00 13.73 C ATOM 1003 CG LYS A 63 14.622 -6.756 1.674 1.00 16.98 C ATOM 1004 CD LYS A 63 15.673 -7.433 0.791 1.00 20.19 C ATOM 1005 CE LYS A 63 16.824 -8.047 1.621 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.297 -9.278 2.265 1.00 25.97 N ATOM 0 H LYS A 63 13.561 -4.023 1.516 1.00 11.73 H new ATOM 0 HA LYS A 63 11.429 -5.522 0.695 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.879 -7.514 0.631 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.601 -6.108 -0.126 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.998 -5.802 2.042 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.410 -7.373 2.547 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.198 -8.214 0.198 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.081 -6.704 0.091 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.675 -8.282 0.982 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.175 -7.340 2.373 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.868 -9.502 3.105 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.308 -9.125 2.549 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.345 -10.070 1.592 1.00 25.97 H new ATOM 1020 N GLU A 64 10.630 -7.120 2.593 1.00 10.04 N ATOM 1021 CA GLU A 64 10.089 -8.055 3.562 1.00 10.94 C ATOM 1022 C GLU A 64 9.353 -7.391 4.681 1.00 9.74 C ATOM 1023 O GLU A 64 9.146 -7.938 5.764 1.00 9.42 O ATOM 1024 CB GLU A 64 11.195 -8.968 4.107 1.00 18.31 C ATOM 1025 CG GLU A 64 11.893 -9.777 3.040 1.00 24.16 C ATOM 1026 CD GLU A 64 13.094 -10.670 3.543 1.00 29.00 C ATOM 1027 OE1 GLU A 64 14.196 -10.184 3.530 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.833 -11.883 3.810 1.00 31.72 O ATOM 0 H GLU A 64 10.059 -7.099 1.748 1.00 10.04 H new ATOM 0 HA GLU A 64 9.354 -8.658 3.029 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.932 -8.359 4.630 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.764 -9.647 4.842 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.158 -10.423 2.560 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.265 -9.094 2.276 1.00 24.16 H new ATOM 1035 N SER A 65 9.004 -6.069 4.435 1.00 6.85 N ATOM 1036 CA SER A 65 8.324 -5.238 5.390 1.00 6.90 C ATOM 1037 C SER A 65 6.845 -5.563 5.477 1.00 4.72 C ATOM 1038 O SER A 65 6.228 -6.164 4.616 1.00 3.91 O ATOM 1039 CB SER A 65 8.448 -3.708 5.044 1.00 7.28 C ATOM 1040 OG SER A 65 8.144 -2.845 6.099 1.00 10.56 O ATOM 0 H SER A 65 9.208 -5.595 3.555 1.00 6.85 H new ATOM 0 HA SER A 65 8.811 -5.445 6.343 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.466 -3.506 4.709 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.787 -3.484 4.207 1.00 7.28 H new ATOM 0 HG SER A 65 7.366 -2.299 5.861 1.00 10.56 H new ATOM 1046 N THR A 66 6.158 -5.107 6.548 1.00 4.48 N ATOM 1047 CA THR A 66 4.730 -5.186 6.702 1.00 3.80 C ATOM 1048 C THR A 66 4.038 -3.804 6.652 1.00 4.60 C ATOM 1049 O THR A 66 4.327 -2.977 7.519 1.00 5.33 O ATOM 1050 CB THR A 66 4.248 -5.934 7.908 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.863 -7.232 7.802 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.746 -6.081 7.966 1.00 3.40 C ATOM 0 H THR A 66 6.619 -4.663 7.342 1.00 4.48 H new ATOM 0 HA THR A 66 4.438 -5.774 5.832 1.00 3.80 H new ATOM 0 HB THR A 66 4.514 -5.394 8.817 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.594 -7.785 8.565 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.469 -6.632 8.865 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.284 -5.094 7.989 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.399 -6.623 7.086 1.00 3.40 H new ATOM 1060 N LEU A 67 3.183 -3.543 5.669 1.00 4.17 N ATOM 1061 CA LEU A 67 2.489 -2.277 5.463 1.00 3.85 C ATOM 1062 C LEU A 67 1.062 -2.652 5.886 1.00 3.80 C ATOM 1063 O LEU A 67 0.726 -3.817 6.082 1.00 5.54 O ATOM 1064 CB LEU A 67 2.556 -1.918 4.027 1.00 7.18 C ATOM 1065 CG LEU A 67 3.874 -1.247 3.628 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.033 -2.241 3.502 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.678 -0.415 2.364 1.00 11.66 C ATOM 0 H LEU A 67 2.944 -4.239 4.963 1.00 4.17 H new ATOM 0 HA LEU A 67 2.891 -1.422 6.006 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.420 -2.819 3.428 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.729 -1.249 3.789 1.00 7.18 H new ATOM 0 HG LEU A 67 4.163 -0.574 4.436 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.940 -1.708 3.217 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.190 -2.740 4.458 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.794 -2.984 2.741 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.621 0.057 2.089 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.346 -1.061 1.551 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.927 0.354 2.547 1.00 11.66 H new ATOM 1079 N HIS A 68 0.192 -1.686 6.129 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.246 -1.797 6.372 1.00 4.17 C ATOM 1081 C HIS A 68 -2.082 -1.025 5.271 1.00 5.32 C ATOM 1082 O HIS A 68 -1.661 -0.042 4.657 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.576 -1.224 7.844 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.483 -2.275 8.858 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.348 -2.743 9.461 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.479 -2.847 9.657 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.698 -3.556 10.501 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -2.004 -3.727 10.625 1.00 16.30 N ATOM 0 H HIS A 68 0.497 -0.713 6.166 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.533 -2.847 6.314 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.882 -0.419 8.087 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.578 -0.795 7.853 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.528 -2.624 9.533 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.023 -4.016 11.160 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.522 -4.337 11.257 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.234 -1.602 4.992 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.210 -1.052 4.032 1.00 3.97 C ATOM 1098 C LEU A 69 -5.473 -0.791 4.836 1.00 5.07 C ATOM 1099 O LEU A 69 -6.119 -1.580 5.544 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.675 -2.037 2.899 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.060 -2.076 2.220 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.274 -0.867 1.260 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.387 -3.349 1.425 1.00 9.96 C ATOM 0 H LEU A 69 -3.535 -2.476 5.423 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.729 -0.196 3.558 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.958 -1.907 2.089 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.521 -3.038 3.303 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.735 -2.042 3.075 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.262 -0.935 0.804 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.198 0.063 1.823 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.513 -0.882 0.480 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.384 -3.262 0.994 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.656 -3.477 0.627 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.353 -4.212 2.090 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.950 0.457 4.774 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.238 0.886 5.394 1.00 6.26 C ATOM 1117 C VAL A 70 -7.971 1.609 4.247 1.00 9.22 C ATOM 1118 O VAL A 70 -7.396 1.972 3.219 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.004 1.894 6.503 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.134 1.158 7.546 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.273 3.147 6.016 1.00 8.54 C ATOM 0 H VAL A 70 -5.461 1.212 4.293 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.779 0.042 5.822 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.956 2.240 6.905 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.923 1.827 8.381 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.667 0.280 7.910 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.197 0.848 7.084 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.132 3.834 6.851 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.301 2.866 5.609 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.864 3.635 5.241 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.273 1.810 4.354 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.024 2.379 3.251 1.00 16.06 C ATOM 1133 C LEU A 71 -9.960 3.938 3.067 1.00 18.09 C ATOM 1134 O LEU A 71 -9.894 4.692 4.052 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.476 1.868 3.215 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.589 0.315 3.012 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.024 -0.106 3.004 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.912 -0.176 1.776 1.00 19.57 C ATOM 0 H LEU A 71 -9.826 1.591 5.183 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.485 2.003 2.382 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.972 2.142 4.146 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.010 2.372 2.409 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.069 -0.138 3.856 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.086 -1.185 2.862 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.487 0.163 3.953 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.546 0.397 2.190 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.031 -1.257 1.701 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.359 0.300 0.903 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.851 0.070 1.820 1.00 19.57 H new