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 133:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.05 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 165:sc= 0.564 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 125:sc= 0.522 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.403) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.14 (180deg=1.67) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.258 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.05 (180deg=0.0542) USER MOD Single : A 14 THR OG1 : rot -51:sc= 0.0627 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= -0.239 (180deg=-1.94!) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0.446 K(o=0.45,f=-2.9!) 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=-0.15) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.332 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.349 K(o=0.35,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.393 -7.229 -4.447 1.00 9.67 N ATOM 2 CA MET A 1 11.265 -7.065 -2.997 1.00 10.38 C ATOM 3 C MET A 1 9.992 -7.635 -2.492 1.00 9.62 C ATOM 4 O MET A 1 8.950 -7.280 -3.002 1.00 9.62 O ATOM 5 CB MET A 1 11.406 -5.515 -2.726 1.00 13.77 C ATOM 6 CG MET A 1 11.541 -5.130 -1.289 1.00 16.29 C ATOM 7 SD MET A 1 12.119 -3.462 -0.966 1.00 17.17 S ATOM 8 CE MET A 1 10.677 -2.598 -1.561 1.00 16.11 C ATOM 0 H1 MET A 1 12.398 -7.193 -4.713 1.00 9.67 H new ATOM 0 H2 MET A 1 10.993 -8.147 -4.729 1.00 9.67 H new ATOM 0 H3 MET A 1 10.879 -6.464 -4.930 1.00 9.67 H new ATOM 0 HA MET A 1 12.036 -7.614 -2.456 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.277 -5.145 -3.268 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.534 -5.009 -3.141 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.571 -5.255 -0.808 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.227 -5.829 -0.810 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.721 -1.556 -1.245 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.647 -2.647 -2.650 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.780 -3.063 -1.152 1.00 16.11 H new ATOM 20 N GLN A 2 10.037 -8.549 -1.519 1.00 9.27 N ATOM 21 CA GLN A 2 8.878 -9.049 -0.841 1.00 9.07 C ATOM 22 C GLN A 2 8.562 -8.212 0.378 1.00 8.72 C ATOM 23 O GLN A 2 9.349 -7.918 1.287 1.00 8.22 O ATOM 24 CB GLN A 2 9.223 -10.426 -0.429 1.00 14.46 C ATOM 25 CG GLN A 2 8.088 -11.222 0.259 1.00 17.01 C ATOM 26 CD GLN A 2 8.396 -12.693 0.179 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.707 -13.315 1.197 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.211 -13.340 -1.012 1.00 19.49 N ATOM 0 H GLN A 2 10.909 -8.960 -1.186 1.00 9.27 H new ATOM 0 HA GLN A 2 8.000 -9.018 -1.486 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.548 -10.979 -1.310 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.074 -10.380 0.250 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.992 -10.915 1.300 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.135 -11.011 -0.225 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.954 -12.811 -1.845 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.330 -14.352 -1.067 1.00 19.49 H new ATOM 37 N ILE A 3 7.340 -7.681 0.440 1.00 5.87 N ATOM 38 CA ILE A 3 6.758 -6.941 1.555 1.00 5.07 C ATOM 39 C ILE A 3 5.315 -7.363 1.675 1.00 4.01 C ATOM 40 O ILE A 3 4.779 -8.112 0.854 1.00 4.61 O ATOM 41 CB ILE A 3 6.816 -5.409 1.422 1.00 6.55 C ATOM 42 CG1 ILE A 3 6.089 -4.900 0.098 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.270 -4.906 1.397 1.00 5.58 C ATOM 44 CD1 ILE A 3 6.121 -3.378 -0.081 1.00 10.83 C ATOM 0 H ILE A 3 6.689 -7.763 -0.341 1.00 5.87 H new ATOM 0 HA ILE A 3 7.353 -7.180 2.437 1.00 5.07 H new ATOM 0 HB ILE A 3 6.299 -5.009 2.294 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.560 -5.368 -0.766 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.051 -5.233 0.114 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.278 -3.820 1.302 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.770 -5.193 2.322 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.793 -5.348 0.549 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.607 -3.109 -1.004 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.623 -2.902 0.764 1.00 10.83 H new ATOM 0 HD13 ILE A 3 7.156 -3.039 -0.131 1.00 10.83 H new ATOM 56 N PHE A 4 4.677 -6.988 2.761 1.00 4.55 N ATOM 57 CA PHE A 4 3.404 -7.563 3.162 1.00 4.68 C ATOM 58 C PHE A 4 2.327 -6.531 3.517 1.00 5.30 C ATOM 59 O PHE A 4 2.649 -5.506 4.112 1.00 5.58 O ATOM 60 CB PHE A 4 3.517 -8.471 4.402 1.00 4.83 C ATOM 61 CG PHE A 4 4.577 -9.533 4.103 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.194 -10.642 3.347 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.879 -9.532 4.681 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.126 -11.626 2.976 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.870 -10.469 4.253 1.00 10.61 C ATOM 66 CZ PHE A 4 6.433 -11.537 3.430 1.00 8.90 C ATOM 0 H PHE A 4 5.026 -6.271 3.398 1.00 4.55 H new ATOM 0 HA PHE A 4 3.115 -8.124 2.273 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.796 -7.888 5.279 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.558 -8.939 4.623 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.163 -10.746 3.042 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.120 -8.815 5.452 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.826 -12.447 2.341 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.905 -10.368 4.544 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.139 -12.304 3.148 1.00 8.90 H new ATOM 76 N VAL A 5 1.126 -6.728 3.010 1.00 4.44 N ATOM 77 CA VAL A 5 0.022 -5.846 3.283 1.00 3.87 C ATOM 78 C VAL A 5 -1.029 -6.618 4.154 1.00 4.93 C ATOM 79 O VAL A 5 -1.691 -7.601 3.783 1.00 6.84 O ATOM 80 CB VAL A 5 -0.592 -5.286 2.032 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.610 -4.197 2.408 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.487 -4.845 1.095 1.00 9.13 C ATOM 0 H VAL A 5 0.893 -7.508 2.396 1.00 4.44 H new ATOM 0 HA VAL A 5 0.390 -4.981 3.835 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.156 -6.045 1.489 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.057 -3.789 1.502 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.390 -4.629 3.035 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.105 -3.400 2.954 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.038 -4.439 0.188 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.094 -4.077 1.575 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.117 -5.697 0.838 1.00 9.13 H new ATOM 92 N LYS A 6 -1.172 -6.160 5.410 1.00 6.04 N ATOM 93 CA LYS A 6 -2.162 -6.741 6.325 1.00 6.12 C ATOM 94 C LYS A 6 -3.397 -5.928 6.339 1.00 6.57 C ATOM 95 O LYS A 6 -3.517 -4.711 6.124 1.00 5.76 O ATOM 96 CB LYS A 6 -1.670 -6.676 7.841 1.00 7.45 C ATOM 97 CG LYS A 6 -0.366 -7.358 8.264 1.00 11.12 C ATOM 98 CD LYS A 6 -0.465 -8.885 8.246 1.00 14.54 C ATOM 99 CE LYS A 6 0.898 -9.583 8.454 1.00 18.84 C ATOM 100 NZ LYS A 6 0.705 -11.043 8.595 1.00 20.55 N ATOM 0 H LYS A 6 -0.621 -5.399 5.808 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.315 -7.762 5.977 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.583 -5.622 8.106 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.466 -7.095 8.456 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.437 -7.042 7.598 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.097 -7.027 9.267 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.155 -9.208 9.026 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.889 -9.205 7.294 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.555 -9.375 7.609 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.387 -9.185 9.343 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.618 -11.527 8.480 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.319 -11.253 9.538 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.042 -11.377 7.867 1.00 20.55 H new ATOM 114 N THR A 7 -4.495 -6.662 6.442 1.00 7.41 N ATOM 115 CA THR A 7 -5.847 -6.092 6.429 1.00 7.48 C ATOM 116 C THR A 7 -6.445 -6.158 7.799 1.00 8.75 C ATOM 117 O THR A 7 -6.001 -6.971 8.588 1.00 8.58 O ATOM 118 CB THR A 7 -6.742 -6.767 5.356 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.344 -8.048 5.710 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.977 -6.931 4.070 1.00 9.17 C ATOM 0 H THR A 7 -4.480 -7.677 6.538 1.00 7.41 H new ATOM 0 HA THR A 7 -5.780 -5.041 6.147 1.00 7.48 H new ATOM 0 HB THR A 7 -7.581 -6.078 5.256 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.006 -8.297 5.032 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.615 -7.406 3.325 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.661 -5.953 3.707 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.100 -7.553 4.245 1.00 9.17 H new ATOM 128 N LEU A 8 -7.427 -5.328 8.114 1.00 9.84 N ATOM 129 CA LEU A 8 -7.896 -5.117 9.461 1.00 14.15 C ATOM 130 C LEU A 8 -8.284 -6.460 10.071 1.00 17.37 C ATOM 131 O LEU A 8 -8.071 -6.756 11.252 1.00 17.01 O ATOM 132 CB LEU A 8 -9.059 -4.185 9.477 1.00 16.63 C ATOM 133 CG LEU A 8 -9.817 -3.904 10.809 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.787 -3.452 11.879 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.962 -2.912 10.641 1.00 18.59 C ATOM 0 H LEU A 8 -7.927 -4.773 7.419 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.098 -4.665 10.050 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.710 -3.226 9.094 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.789 -4.566 8.763 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.298 -4.823 11.142 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.302 -3.251 12.818 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.050 -4.241 12.031 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.284 -2.546 11.540 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.452 -2.756 11.602 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.570 -1.963 10.275 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.683 -3.307 9.925 1.00 18.59 H new ATOM 147 N THR A 9 -8.939 -7.311 9.205 1.00 18.33 N ATOM 148 CA THR A 9 -9.604 -8.505 9.612 1.00 19.24 C ATOM 149 C THR A 9 -8.812 -9.763 9.307 1.00 19.48 C ATOM 150 O THR A 9 -9.308 -10.857 9.522 1.00 23.14 O ATOM 151 CB THR A 9 -11.014 -8.507 9.015 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.915 -8.313 7.566 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.834 -7.350 9.566 1.00 19.70 C ATOM 0 H THR A 9 -8.993 -7.142 8.201 1.00 18.33 H new ATOM 0 HA THR A 9 -9.688 -8.514 10.699 1.00 19.24 H new ATOM 0 HB THR A 9 -11.490 -9.455 9.266 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.813 -8.314 7.174 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.832 -7.371 9.128 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.911 -7.442 10.649 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.347 -6.407 9.315 1.00 19.70 H new ATOM 161 N GLY A 10 -7.512 -9.526 8.927 1.00 19.43 N ATOM 162 CA GLY A 10 -6.557 -10.599 9.293 1.00 18.74 C ATOM 163 C GLY A 10 -6.141 -11.402 8.100 1.00 17.62 C ATOM 164 O GLY A 10 -5.665 -12.510 8.255 1.00 19.74 O ATOM 0 H GLY A 10 -7.146 -8.712 8.433 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.676 -10.158 9.760 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.014 -11.256 10.032 1.00 18.74 H new ATOM 168 N LYS A 11 -6.353 -10.938 6.892 1.00 13.56 N ATOM 169 CA LYS A 11 -5.853 -11.461 5.590 1.00 11.91 C ATOM 170 C LYS A 11 -4.468 -10.840 5.333 1.00 10.18 C ATOM 171 O LYS A 11 -4.182 -9.742 5.759 1.00 9.10 O ATOM 172 CB LYS A 11 -6.856 -10.994 4.547 1.00 13.43 C ATOM 173 CG LYS A 11 -6.632 -11.814 3.235 1.00 16.69 C ATOM 174 CD LYS A 11 -7.525 -11.316 2.108 1.00 17.92 C ATOM 175 CE LYS A 11 -7.141 -12.241 0.895 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.080 -12.069 -0.193 1.00 21.93 N ATOM 0 H LYS A 11 -6.930 -10.108 6.755 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.755 -12.546 5.568 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.874 -11.135 4.912 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.731 -9.929 4.353 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.587 -11.741 2.933 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.836 -12.868 3.424 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.581 -11.407 2.363 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.341 -10.265 1.885 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.133 -12.003 0.554 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.132 -13.283 1.214 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.364 -13.001 -0.557 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.920 -11.561 0.150 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.632 -11.521 -0.955 1.00 21.93 H new ATOM 190 N THR A 12 -3.551 -11.593 4.676 1.00 9.63 N ATOM 191 CA THR A 12 -2.286 -11.049 4.245 1.00 9.85 C ATOM 192 C THR A 12 -2.168 -11.079 2.794 1.00 11.66 C ATOM 193 O THR A 12 -2.256 -12.174 2.224 1.00 12.33 O ATOM 194 CB THR A 12 -1.082 -11.640 4.931 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.237 -11.561 6.363 1.00 10.91 O ATOM 196 CG2 THR A 12 0.205 -10.837 4.631 1.00 9.63 C ATOM 0 H THR A 12 -3.686 -12.577 4.444 1.00 9.63 H new ATOM 0 HA THR A 12 -2.291 -10.007 4.565 1.00 9.85 H new ATOM 0 HB THR A 12 -1.003 -12.664 4.567 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.136 -12.454 6.753 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.049 -11.297 5.145 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.391 -10.836 3.557 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.083 -9.811 4.979 1.00 9.63 H new ATOM 204 N ILE A 13 -1.741 -9.960 2.172 1.00 10.42 N ATOM 205 CA ILE A 13 -1.478 -9.876 0.755 1.00 11.84 C ATOM 206 C ILE A 13 0.009 -9.850 0.682 1.00 10.55 C ATOM 207 O ILE A 13 0.591 -8.876 1.157 1.00 11.92 O ATOM 208 CB ILE A 13 -2.165 -8.698 0.133 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.607 -8.436 0.614 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.077 -8.878 -1.401 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.273 -7.056 0.216 1.00 16.46 C ATOM 0 H ILE A 13 -1.572 -9.084 2.666 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.878 -10.709 0.177 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.648 -7.796 0.459 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.240 -9.237 0.231 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.618 -8.513 1.701 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.567 -8.039 -1.895 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.030 -8.916 -1.703 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.571 -9.806 -1.687 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.284 -7.010 0.621 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.681 -6.236 0.623 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.313 -6.971 -0.870 1.00 16.46 H new ATOM 223 N THR A 14 0.743 -10.896 0.223 1.00 9.39 N ATOM 224 CA THR A 14 2.169 -10.770 -0.087 1.00 9.63 C ATOM 225 C THR A 14 2.325 -10.051 -1.339 1.00 11.20 C ATOM 226 O THR A 14 1.737 -10.461 -2.381 1.00 11.63 O ATOM 227 CB THR A 14 2.862 -12.144 -0.265 1.00 10.38 C ATOM 228 OG1 THR A 14 2.754 -12.937 0.862 1.00 16.30 O ATOM 229 CG2 THR A 14 4.426 -11.943 -0.453 1.00 11.66 C ATOM 0 H THR A 14 0.362 -11.828 0.064 1.00 9.39 H new ATOM 0 HA THR A 14 2.628 -10.246 0.752 1.00 9.63 H new ATOM 0 HB THR A 14 2.376 -12.609 -1.123 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.049 -12.431 1.648 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.905 -12.914 -0.577 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.611 -11.331 -1.336 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.837 -11.445 0.425 1.00 11.66 H new ATOM 237 N LEU A 15 3.311 -9.106 -1.370 1.00 8.29 N ATOM 238 CA LEU A 15 3.601 -8.322 -2.535 1.00 9.03 C ATOM 239 C LEU A 15 5.012 -8.484 -3.074 1.00 8.59 C ATOM 240 O LEU A 15 5.960 -8.550 -2.371 1.00 7.79 O ATOM 241 CB LEU A 15 3.211 -6.795 -2.435 1.00 11.08 C ATOM 242 CG LEU A 15 1.704 -6.501 -2.126 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.495 -4.966 -2.342 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.780 -7.229 -3.096 1.00 15.27 C ATOM 0 H LEU A 15 3.908 -8.892 -0.571 1.00 8.29 H new ATOM 0 HA LEU A 15 2.926 -8.763 -3.268 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.820 -6.333 -1.658 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.472 -6.309 -3.375 1.00 11.08 H new ATOM 0 HG LEU A 15 1.472 -6.831 -1.113 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.456 -4.708 -2.138 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.146 -4.412 -1.666 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.738 -4.707 -3.373 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.257 -7.001 -2.851 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.992 -6.903 -4.114 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.944 -8.304 -3.017 1.00 15.27 H new ATOM 256 N GLU A 16 5.183 -8.507 -4.443 1.00 11.04 N ATOM 257 CA GLU A 16 6.487 -8.437 -5.157 1.00 11.50 C ATOM 258 C GLU A 16 6.598 -7.094 -5.931 1.00 10.13 C ATOM 259 O GLU A 16 5.918 -6.781 -6.883 1.00 9.83 O ATOM 260 CB GLU A 16 6.757 -9.526 -6.183 1.00 17.22 C ATOM 261 CG GLU A 16 8.221 -9.710 -6.597 1.00 23.33 C ATOM 262 CD GLU A 16 9.066 -10.345 -5.576 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.653 -11.356 -4.934 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.139 -9.755 -5.190 1.00 28.90 O ATOM 0 H GLU A 16 4.392 -8.577 -5.083 1.00 11.04 H new ATOM 0 HA GLU A 16 7.214 -8.554 -4.353 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.391 -10.472 -5.784 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.172 -9.309 -7.077 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.256 -10.311 -7.505 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.641 -8.735 -6.844 1.00 23.33 H new ATOM 271 N VAL A 17 7.513 -6.221 -5.462 1.00 8.99 N ATOM 272 CA VAL A 17 7.599 -4.865 -5.811 1.00 8.85 C ATOM 273 C VAL A 17 9.075 -4.540 -5.955 1.00 8.04 C ATOM 274 O VAL A 17 9.938 -5.300 -5.610 1.00 8.99 O ATOM 275 CB VAL A 17 7.053 -3.895 -4.756 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.536 -4.147 -4.669 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.644 -3.941 -3.333 1.00 10.54 C ATOM 0 H VAL A 17 8.233 -6.500 -4.795 1.00 8.99 H new ATOM 0 HA VAL A 17 7.003 -4.736 -6.715 1.00 8.85 H new ATOM 0 HB VAL A 17 7.347 -2.905 -5.106 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.098 -3.478 -3.928 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.080 -3.960 -5.641 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.355 -5.181 -4.376 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.151 -3.194 -2.710 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.487 -4.931 -2.906 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.712 -3.730 -3.376 1.00 10.54 H new ATOM 287 N GLU A 18 9.319 -3.344 -6.529 1.00 7.29 N ATOM 288 CA GLU A 18 10.657 -2.709 -6.519 1.00 7.08 C ATOM 289 C GLU A 18 10.628 -1.542 -5.512 1.00 6.45 C ATOM 290 O GLU A 18 9.577 -0.917 -5.278 1.00 5.28 O ATOM 291 CB GLU A 18 11.003 -2.138 -7.866 1.00 10.28 C ATOM 292 CG GLU A 18 11.413 -3.219 -8.893 1.00 12.65 C ATOM 293 CD GLU A 18 12.637 -3.985 -8.620 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.794 -3.427 -8.453 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.534 -5.255 -8.686 1.00 18.17 O ATOM 0 H GLU A 18 8.605 -2.795 -7.008 1.00 7.29 H new ATOM 0 HA GLU A 18 11.396 -3.465 -6.253 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.146 -1.585 -8.251 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.819 -1.424 -7.753 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.588 -3.925 -8.985 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.528 -2.735 -9.863 1.00 12.65 H new ATOM 302 N PRO A 19 11.714 -1.128 -4.978 1.00 7.24 N ATOM 303 CA PRO A 19 11.777 0.147 -4.210 1.00 7.07 C ATOM 304 C PRO A 19 11.326 1.399 -4.965 1.00 6.65 C ATOM 305 O PRO A 19 10.956 2.369 -4.337 1.00 6.37 O ATOM 306 CB PRO A 19 13.247 0.268 -3.810 1.00 7.61 C ATOM 307 CG PRO A 19 13.759 -1.192 -3.835 1.00 8.16 C ATOM 308 CD PRO A 19 12.979 -1.839 -4.929 1.00 7.49 C ATOM 0 HA PRO A 19 11.078 0.100 -3.375 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.800 0.898 -4.507 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.357 0.713 -2.821 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.830 -1.234 -4.032 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.591 -1.689 -2.879 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.506 -1.769 -5.881 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.826 -2.899 -4.727 1.00 7.49 H new ATOM 316 N SER A 20 11.389 1.400 -6.358 1.00 6.80 N ATOM 317 CA SER A 20 11.120 2.584 -7.269 1.00 6.28 C ATOM 318 C SER A 20 9.714 2.572 -7.846 1.00 8.45 C ATOM 319 O SER A 20 9.247 3.403 -8.602 1.00 7.26 O ATOM 320 CB SER A 20 12.012 2.596 -8.543 1.00 8.57 C ATOM 321 OG SER A 20 13.433 2.606 -8.259 1.00 11.13 O ATOM 0 H SER A 20 11.633 0.559 -6.881 1.00 6.80 H new ATOM 0 HA SER A 20 11.310 3.435 -6.616 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.778 1.720 -9.148 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.764 3.473 -9.141 1.00 8.57 H new ATOM 0 HG SER A 20 13.935 2.611 -9.101 1.00 11.13 H new ATOM 327 N ASP A 21 8.953 1.525 -7.458 1.00 7.50 N ATOM 328 CA ASP A 21 7.498 1.451 -7.650 1.00 7.70 C ATOM 329 C ASP A 21 6.739 2.513 -6.811 1.00 7.08 C ATOM 330 O ASP A 21 6.928 2.642 -5.604 1.00 8.11 O ATOM 331 CB ASP A 21 6.886 0.053 -7.325 1.00 11.00 C ATOM 332 CG ASP A 21 7.178 -1.030 -8.333 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.349 -0.716 -9.554 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.253 -2.190 -7.886 1.00 14.36 O ATOM 0 H ASP A 21 9.341 0.701 -6.998 1.00 7.50 H new ATOM 0 HA ASP A 21 7.366 1.646 -8.714 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.257 -0.270 -6.352 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.805 0.160 -7.235 1.00 11.00 H new ATOM 339 N THR A 22 5.799 3.296 -7.383 1.00 5.37 N ATOM 340 CA THR A 22 5.008 4.318 -6.679 1.00 6.01 C ATOM 341 C THR A 22 3.894 3.663 -5.889 1.00 8.01 C ATOM 342 O THR A 22 3.523 2.504 -6.071 1.00 8.11 O ATOM 343 CB THR A 22 4.397 5.360 -7.505 1.00 8.92 C ATOM 344 OG1 THR A 22 3.613 4.832 -8.633 1.00 10.22 O ATOM 345 CG2 THR A 22 5.485 6.203 -8.136 1.00 9.65 C ATOM 0 H THR A 22 5.566 3.230 -8.374 1.00 5.37 H new ATOM 0 HA THR A 22 5.748 4.817 -6.053 1.00 6.01 H new ATOM 0 HB THR A 22 3.743 5.917 -6.834 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.231 5.577 -9.143 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.032 6.980 -8.752 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.087 6.665 -7.354 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.120 5.572 -8.757 1.00 9.65 H new ATOM 353 N ILE A 23 3.421 4.386 -4.821 1.00 8.32 N ATOM 354 CA ILE A 23 2.290 3.869 -3.989 1.00 9.92 C ATOM 355 C ILE A 23 0.981 3.729 -4.853 1.00 10.01 C ATOM 356 O ILE A 23 0.232 2.786 -4.554 1.00 8.71 O ATOM 357 CB ILE A 23 2.040 4.698 -2.761 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.332 4.815 -1.924 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.856 4.095 -1.923 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.996 3.520 -1.416 1.00 12.30 C ATOM 0 H ILE A 23 3.790 5.291 -4.528 1.00 8.32 H new ATOM 0 HA ILE A 23 2.586 2.881 -3.637 1.00 9.92 H new ATOM 0 HB ILE A 23 1.748 5.704 -3.063 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.068 5.353 -2.522 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.111 5.437 -1.057 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.688 4.708 -1.037 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.049 4.080 -2.530 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.106 3.078 -1.619 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.891 3.769 -0.846 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.298 2.979 -0.777 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.270 2.894 -2.265 1.00 12.30 H new ATOM 372 N GLU A 24 0.847 4.511 -5.942 1.00 9.54 N ATOM 373 CA GLU A 24 -0.249 4.427 -6.888 1.00 11.81 C ATOM 374 C GLU A 24 -0.087 3.103 -7.633 1.00 11.14 C ATOM 375 O GLU A 24 -1.047 2.362 -7.694 1.00 10.62 O ATOM 376 CB GLU A 24 0.054 5.465 -8.051 1.00 19.24 C ATOM 377 CG GLU A 24 -0.678 5.352 -9.371 1.00 27.76 C ATOM 378 CD GLU A 24 -0.370 6.537 -10.311 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.651 7.680 -9.993 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.220 6.273 -11.408 1.00 34.80 O ATOM 0 H GLU A 24 1.525 5.234 -6.182 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.200 4.567 -6.375 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.141 6.462 -7.656 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.121 5.410 -8.266 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.398 4.419 -9.861 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.751 5.306 -9.187 1.00 27.76 H new ATOM 387 N ASN A 25 1.123 2.704 -8.148 1.00 9.43 N ATOM 388 CA ASN A 25 1.289 1.310 -8.556 1.00 10.96 C ATOM 389 C ASN A 25 0.982 0.235 -7.453 1.00 9.68 C ATOM 390 O ASN A 25 0.336 -0.802 -7.793 1.00 9.33 O ATOM 391 CB ASN A 25 2.764 1.230 -8.955 1.00 16.78 C ATOM 392 CG ASN A 25 3.176 -0.098 -9.601 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.563 -1.058 -8.926 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.173 -0.201 -10.932 1.00 24.70 N ATOM 0 H ASN A 25 1.938 3.304 -8.276 1.00 9.43 H new ATOM 0 HA ASN A 25 0.573 1.073 -9.343 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.984 2.041 -9.649 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.377 1.394 -8.069 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.487 -1.063 -11.378 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.857 0.582 -11.503 1.00 24.70 H new ATOM 401 N VAL A 26 1.447 0.386 -6.159 1.00 6.52 N ATOM 402 CA VAL A 26 1.176 -0.507 -5.130 1.00 5.53 C ATOM 403 C VAL A 26 -0.303 -0.656 -4.823 1.00 4.42 C ATOM 404 O VAL A 26 -0.798 -1.762 -4.520 1.00 3.40 O ATOM 405 CB VAL A 26 1.968 -0.120 -3.861 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.534 -1.025 -2.684 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.441 -0.305 -4.189 1.00 8.12 C ATOM 0 H VAL A 26 2.028 1.173 -5.869 1.00 6.52 H new ATOM 0 HA VAL A 26 1.504 -1.486 -5.478 1.00 5.53 H new ATOM 0 HB VAL A 26 1.779 0.911 -3.563 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.093 -0.751 -1.789 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.468 -0.895 -2.499 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.735 -2.067 -2.933 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.043 -0.043 -3.319 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.626 -1.345 -4.458 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.711 0.340 -5.025 1.00 8.12 H new ATOM 417 N LYS A 27 -1.090 0.391 -4.881 1.00 2.64 N ATOM 418 CA LYS A 27 -2.562 0.427 -4.772 1.00 4.14 C ATOM 419 C LYS A 27 -3.183 -0.262 -6.001 1.00 5.58 C ATOM 420 O LYS A 27 -4.048 -1.111 -5.932 1.00 4.11 O ATOM 421 CB LYS A 27 -3.182 1.825 -4.538 1.00 3.97 C ATOM 422 CG LYS A 27 -2.828 2.378 -3.097 1.00 7.45 C ATOM 423 CD LYS A 27 -3.511 3.744 -2.805 1.00 9.02 C ATOM 424 CE LYS A 27 -3.111 4.894 -3.805 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.757 6.114 -3.473 1.00 15.47 N ATOM 0 H LYS A 27 -0.704 1.325 -5.016 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.806 -0.119 -3.861 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.817 2.518 -5.296 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.265 1.769 -4.652 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.137 1.652 -2.345 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.747 2.488 -3.008 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.592 3.611 -2.836 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.257 4.055 -1.792 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.030 5.035 -3.786 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.377 4.604 -4.821 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.279 6.467 -4.300 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.420 5.953 -2.688 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.046 6.817 -3.187 1.00 15.47 H new ATOM 439 N ALA A 28 -2.747 -0.035 -7.222 1.00 6.61 N ATOM 440 CA ALA A 28 -3.166 -0.615 -8.486 1.00 7.74 C ATOM 441 C ALA A 28 -2.966 -2.186 -8.521 1.00 9.17 C ATOM 442 O ALA A 28 -3.571 -3.005 -9.215 1.00 11.45 O ATOM 443 CB ALA A 28 -2.374 -0.092 -9.662 1.00 7.68 C ATOM 0 H ALA A 28 -2.000 0.643 -7.372 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.218 -0.339 -8.564 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.731 -0.561 -10.579 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.500 0.988 -9.734 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.319 -0.326 -9.523 1.00 7.68 H new ATOM 449 N LYS A 29 -1.905 -2.576 -7.803 1.00 8.96 N ATOM 450 CA LYS A 29 -1.444 -3.947 -7.445 1.00 7.90 C ATOM 451 C LYS A 29 -2.292 -4.647 -6.407 1.00 6.92 C ATOM 452 O LYS A 29 -2.680 -5.839 -6.561 1.00 6.87 O ATOM 453 CB LYS A 29 0.083 -4.115 -7.209 1.00 10.28 C ATOM 454 CG LYS A 29 0.497 -5.552 -6.993 1.00 14.94 C ATOM 455 CD LYS A 29 2.062 -5.634 -7.092 1.00 19.69 C ATOM 456 CE LYS A 29 2.564 -6.044 -8.489 1.00 22.63 C ATOM 457 NZ LYS A 29 3.981 -5.884 -8.561 1.00 24.98 N ATOM 0 H LYS A 29 -1.275 -1.875 -7.412 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.618 -4.489 -8.374 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.623 -3.713 -8.066 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.377 -3.524 -6.341 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.159 -5.902 -6.017 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.035 -6.197 -7.740 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.487 -4.665 -6.831 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.428 -6.351 -6.357 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.295 -7.081 -8.692 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.081 -5.434 -9.252 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.316 -6.178 -9.500 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.226 -4.886 -8.403 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.434 -6.471 -7.832 1.00 24.98 H new ATOM 471 N ILE A 30 -2.737 -3.938 -5.312 1.00 4.57 N ATOM 472 CA ILE A 30 -3.818 -4.334 -4.479 1.00 5.58 C ATOM 473 C ILE A 30 -5.095 -4.409 -5.231 1.00 7.26 C ATOM 474 O ILE A 30 -5.812 -5.367 -5.053 1.00 9.46 O ATOM 475 CB ILE A 30 -3.862 -3.413 -3.346 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.606 -3.797 -2.495 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.141 -3.669 -2.495 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.601 -3.089 -1.122 1.00 2.00 C ATOM 0 H ILE A 30 -2.309 -3.060 -5.019 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.665 -5.346 -4.105 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.873 -2.370 -3.661 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.584 -4.877 -2.347 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.702 -3.532 -3.043 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.163 -2.977 -1.653 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.026 -3.517 -3.113 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.131 -4.693 -2.122 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.712 -3.384 -0.564 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.595 -2.009 -1.270 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.492 -3.374 -0.562 1.00 2.00 H new ATOM 490 N GLN A 31 -5.427 -3.498 -6.154 1.00 7.06 N ATOM 491 CA GLN A 31 -6.603 -3.584 -6.971 1.00 8.67 C ATOM 492 C GLN A 31 -6.575 -4.845 -7.812 1.00 10.90 C ATOM 493 O GLN A 31 -7.570 -5.556 -8.041 1.00 9.63 O ATOM 494 CB GLN A 31 -6.727 -2.396 -7.960 1.00 9.12 C ATOM 495 CG GLN A 31 -8.077 -2.306 -8.598 1.00 10.76 C ATOM 496 CD GLN A 31 -8.203 -1.245 -9.714 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.264 -0.884 -10.408 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.476 -0.962 -10.075 1.00 14.76 N ATOM 0 H GLN A 31 -4.862 -2.670 -6.343 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.445 -3.578 -6.279 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.519 -1.466 -7.431 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.970 -2.497 -8.737 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.331 -3.281 -9.014 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.814 -2.087 -7.825 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.252 -1.268 -9.489 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.659 -0.443 -10.934 1.00 14.76 H new ATOM 507 N ASP A 32 -5.400 -5.209 -8.399 1.00 10.93 N ATOM 508 CA ASP A 32 -5.213 -6.446 -9.083 1.00 14.01 C ATOM 509 C ASP A 32 -5.440 -7.698 -8.221 1.00 14.04 C ATOM 510 O ASP A 32 -6.192 -8.613 -8.620 1.00 13.39 O ATOM 511 CB ASP A 32 -3.728 -6.631 -9.528 1.00 18.01 C ATOM 512 CG ASP A 32 -3.778 -7.387 -10.864 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.968 -6.703 -11.918 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.585 -8.613 -10.881 1.00 25.17 O ATOM 0 H ASP A 32 -4.568 -4.619 -8.390 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.936 -6.375 -9.896 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.232 -5.667 -9.643 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.164 -7.192 -8.783 1.00 18.01 H new ATOM 519 N LYS A 33 -4.829 -7.762 -7.005 1.00 14.22 N ATOM 520 CA LYS A 33 -5.038 -8.878 -6.050 1.00 14.00 C ATOM 521 C LYS A 33 -6.493 -8.902 -5.510 1.00 12.37 C ATOM 522 O LYS A 33 -7.203 -9.945 -5.598 1.00 12.17 O ATOM 523 CB LYS A 33 -4.083 -8.696 -4.821 1.00 18.62 C ATOM 524 CG LYS A 33 -2.557 -8.921 -5.079 1.00 24.00 C ATOM 525 CD LYS A 33 -2.158 -10.459 -5.092 1.00 27.61 C ATOM 526 CE LYS A 33 -0.673 -10.689 -5.274 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.360 -12.122 -5.419 1.00 30.06 N ATOM 0 H LYS A 33 -4.185 -7.047 -6.666 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.834 -9.807 -6.582 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.217 -7.687 -4.432 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.401 -9.384 -4.038 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.284 -8.471 -6.033 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.983 -8.407 -4.308 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.478 -10.919 -4.157 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.698 -10.961 -5.895 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.326 -10.149 -6.155 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.134 -10.283 -4.418 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.666 -12.243 -5.542 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.669 -12.633 -4.567 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.855 -12.503 -6.250 1.00 30.06 H new ATOM 541 N GLU A 34 -6.967 -7.753 -4.958 1.00 10.11 N ATOM 542 CA GLU A 34 -8.231 -7.696 -4.307 1.00 10.07 C ATOM 543 C GLU A 34 -9.425 -6.980 -4.897 1.00 9.32 C ATOM 544 O GLU A 34 -10.535 -6.979 -4.349 1.00 11.61 O ATOM 545 CB GLU A 34 -8.054 -7.004 -2.952 1.00 14.77 C ATOM 546 CG GLU A 34 -7.355 -7.757 -1.881 1.00 18.75 C ATOM 547 CD GLU A 34 -8.125 -9.058 -1.554 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.295 -8.968 -1.117 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.451 -10.101 -1.653 1.00 21.95 O ATOM 0 H GLU A 34 -6.462 -6.867 -4.970 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.487 -8.755 -4.351 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.510 -6.074 -3.118 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.043 -6.733 -2.582 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.340 -7.996 -2.198 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.273 -7.140 -0.986 1.00 18.75 H new ATOM 556 N GLY A 35 -9.336 -6.362 -6.059 1.00 7.22 N ATOM 557 CA GLY A 35 -10.446 -5.718 -6.725 1.00 6.29 C ATOM 558 C GLY A 35 -10.914 -4.451 -6.105 1.00 6.93 C ATOM 559 O GLY A 35 -12.022 -3.942 -6.425 1.00 7.41 O ATOM 0 H GLY A 35 -8.461 -6.294 -6.579 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.159 -5.514 -7.757 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.282 -6.417 -6.759 1.00 6.29 H new ATOM 563 N ILE A 36 -10.087 -3.810 -5.203 1.00 5.86 N ATOM 564 CA ILE A 36 -10.592 -2.681 -4.386 1.00 6.07 C ATOM 565 C ILE A 36 -10.296 -1.340 -5.060 1.00 6.36 C ATOM 566 O ILE A 36 -9.144 -1.200 -5.415 1.00 6.18 O ATOM 567 CB ILE A 36 -9.960 -2.636 -3.003 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.323 -3.956 -2.220 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.511 -1.482 -2.118 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.442 -4.295 -0.978 1.00 9.49 C ATOM 0 H ILE A 36 -9.111 -4.055 -5.040 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.666 -2.844 -4.293 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.891 -2.503 -3.170 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.360 -3.884 -1.893 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.266 -4.792 -2.917 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.021 -1.504 -1.145 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.313 -0.526 -2.602 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.586 -1.606 -1.986 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.791 -5.224 -0.527 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.404 -4.410 -1.289 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.515 -3.488 -0.249 1.00 9.49 H new ATOM 582 N PRO A 37 -11.152 -0.371 -5.274 1.00 8.65 N ATOM 583 CA PRO A 37 -10.755 0.886 -5.935 1.00 9.18 C ATOM 584 C PRO A 37 -9.541 1.710 -5.275 1.00 9.85 C ATOM 585 O PRO A 37 -9.538 1.888 -4.046 1.00 8.51 O ATOM 586 CB PRO A 37 -12.021 1.773 -5.918 1.00 11.42 C ATOM 587 CG PRO A 37 -13.204 0.778 -5.930 1.00 9.27 C ATOM 588 CD PRO A 37 -12.630 -0.456 -5.236 1.00 8.33 C ATOM 0 HA PRO A 37 -10.376 0.621 -6.922 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.047 2.407 -5.032 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.052 2.434 -6.784 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.068 1.174 -5.397 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.531 0.553 -6.945 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.980 -0.508 -4.205 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.970 -1.364 -5.734 1.00 8.33 H new ATOM 596 N PRO A 38 -8.504 2.149 -5.947 1.00 8.71 N ATOM 597 CA PRO A 38 -7.275 2.796 -5.464 1.00 9.08 C ATOM 598 C PRO A 38 -7.560 4.027 -4.698 1.00 9.28 C ATOM 599 O PRO A 38 -6.662 4.513 -3.937 1.00 6.50 O ATOM 600 CB PRO A 38 -6.355 2.987 -6.683 1.00 10.31 C ATOM 601 CG PRO A 38 -6.697 1.798 -7.574 1.00 10.81 C ATOM 602 CD PRO A 38 -8.161 1.462 -7.212 1.00 12.00 C ATOM 0 HA PRO A 38 -6.755 2.172 -4.737 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.547 3.935 -7.186 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.303 2.985 -6.397 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.595 2.049 -8.630 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.035 0.953 -7.382 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.831 1.782 -8.010 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.286 0.385 -7.103 1.00 12.00 H new ATOM 610 N ASP A 39 -8.714 4.681 -5.025 1.00 11.20 N ATOM 611 CA ASP A 39 -9.160 5.900 -4.358 1.00 14.96 C ATOM 612 C ASP A 39 -9.892 5.524 -3.035 1.00 13.99 C ATOM 613 O ASP A 39 -9.985 6.344 -2.141 1.00 13.75 O ATOM 614 CB ASP A 39 -9.949 6.753 -5.281 1.00 24.16 C ATOM 615 CG ASP A 39 -9.931 8.112 -4.750 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.858 8.706 -5.040 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.935 8.640 -4.208 1.00 34.22 O ATOM 0 H ASP A 39 -9.346 4.362 -5.760 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.306 6.516 -4.076 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.523 6.728 -6.284 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.972 6.386 -5.360 1.00 24.16 H new ATOM 622 N GLN A 40 -10.502 4.399 -2.903 1.00 11.60 N ATOM 623 CA GLN A 40 -10.973 3.838 -1.666 1.00 10.76 C ATOM 624 C GLN A 40 -9.843 3.506 -0.661 1.00 8.01 C ATOM 625 O GLN A 40 -9.845 3.772 0.543 1.00 8.96 O ATOM 626 CB GLN A 40 -11.871 2.562 -1.814 1.00 11.14 C ATOM 627 CG GLN A 40 -12.686 2.321 -0.463 1.00 14.85 C ATOM 628 CD GLN A 40 -13.542 1.063 -0.602 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.541 0.236 0.317 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.259 0.878 -1.728 1.00 18.16 N ATOM 0 H GLN A 40 -10.703 3.800 -3.703 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.589 4.649 -1.277 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.560 2.685 -2.649 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.252 1.693 -2.037 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.998 2.215 0.375 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.319 3.182 -0.249 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.238 1.580 -2.467 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.823 0.036 -1.841 1.00 18.16 H new ATOM 639 N GLN A 41 -8.748 2.902 -1.247 1.00 6.52 N ATOM 640 CA GLN A 41 -7.520 2.503 -0.540 1.00 3.87 C ATOM 641 C GLN A 41 -6.833 3.620 0.213 1.00 4.79 C ATOM 642 O GLN A 41 -6.775 4.785 -0.132 1.00 6.34 O ATOM 643 CB GLN A 41 -6.625 1.767 -1.522 1.00 4.20 C ATOM 644 CG GLN A 41 -7.127 0.420 -1.890 1.00 3.20 C ATOM 645 CD GLN A 41 -6.155 -0.203 -2.890 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.985 -0.305 -2.601 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.697 -0.634 -4.017 1.00 7.13 N ATOM 0 H GLN A 41 -8.717 2.685 -2.243 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.790 1.826 0.271 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.522 2.367 -2.426 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.629 1.669 -1.090 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.212 -0.208 -1.003 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.124 0.493 -2.326 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.695 -0.508 -4.183 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.116 -1.092 -4.720 1.00 7.13 H new ATOM 656 N ARG A 42 -6.219 3.190 1.289 1.00 5.73 N ATOM 657 CA ARG A 42 -5.166 3.922 2.104 1.00 6.97 C ATOM 658 C ARG A 42 -4.208 2.927 2.542 1.00 7.15 C ATOM 659 O ARG A 42 -4.577 1.805 2.738 1.00 7.33 O ATOM 660 CB ARG A 42 -5.767 4.534 3.385 1.00 13.23 C ATOM 661 CG ARG A 42 -6.512 5.815 3.112 1.00 21.27 C ATOM 662 CD ARG A 42 -6.967 6.608 4.291 1.00 26.14 C ATOM 663 NE ARG A 42 -7.727 7.781 3.808 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.235 8.764 4.538 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.244 8.750 5.862 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.542 9.865 3.853 1.00 36.39 N ATOM 0 H ARG A 42 -6.423 2.269 1.677 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.733 4.713 1.492 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.443 3.814 3.846 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.969 4.726 4.102 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.872 6.454 2.503 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.388 5.574 2.510 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.591 5.995 4.941 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.110 6.930 4.883 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.877 7.840 2.801 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.847 7.957 6.366 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.647 9.532 6.378 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.381 9.901 2.847 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.939 10.672 4.335 1.00 36.39 H new ATOM 680 N LEU A 43 -2.947 3.286 2.662 1.00 4.65 N ATOM 681 CA LEU A 43 -1.901 2.356 2.977 1.00 3.51 C ATOM 682 C LEU A 43 -1.111 3.017 4.017 1.00 5.56 C ATOM 683 O LEU A 43 -0.735 4.161 3.861 1.00 4.19 O ATOM 684 CB LEU A 43 -1.026 1.999 1.729 1.00 3.74 C ATOM 685 CG LEU A 43 -1.549 0.923 0.761 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.521 0.808 -0.369 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.680 -0.394 1.512 1.00 6.41 C ATOM 0 H LEU A 43 -2.623 4.246 2.541 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.306 1.401 3.312 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.871 2.914 1.158 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.048 1.678 2.088 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.527 1.178 0.354 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.849 0.054 -1.084 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.426 1.769 -0.874 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.445 0.519 0.046 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.050 -1.164 0.835 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.705 -0.690 1.900 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.378 -0.273 2.340 1.00 6.41 H new ATOM 699 N ILE A 44 -0.780 2.331 5.146 1.00 4.58 N ATOM 700 CA ILE A 44 -0.067 2.898 6.293 1.00 5.55 C ATOM 701 C ILE A 44 1.202 2.102 6.765 1.00 5.46 C ATOM 702 O ILE A 44 1.177 0.868 6.983 1.00 6.04 O ATOM 703 CB ILE A 44 -1.093 3.041 7.509 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.372 3.822 7.089 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.385 3.603 8.808 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.211 4.416 8.134 1.00 13.90 C ATOM 0 H ILE A 44 -1.014 1.346 5.272 1.00 4.58 H new ATOM 0 HA ILE A 44 0.318 3.862 5.959 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.441 2.045 7.782 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.064 4.624 6.418 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.998 3.143 6.509 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.115 3.686 9.613 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.413 2.924 9.110 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.036 4.586 8.597 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.060 4.923 7.675 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.573 3.632 8.799 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.625 5.135 8.706 1.00 13.90 H new ATOM 718 N PHE A 45 2.371 2.811 6.916 1.00 6.75 N ATOM 719 CA PHE A 45 3.609 2.282 7.480 1.00 4.70 C ATOM 720 C PHE A 45 4.333 3.361 8.287 1.00 6.34 C ATOM 721 O PHE A 45 4.307 4.512 7.869 1.00 5.45 O ATOM 722 CB PHE A 45 4.530 1.724 6.344 1.00 5.51 C ATOM 723 CG PHE A 45 6.044 1.611 6.567 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.776 2.803 6.459 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.567 0.328 6.827 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.223 2.729 6.473 1.00 6.64 C ATOM 727 CE2 PHE A 45 8.003 0.302 6.923 1.00 6.68 C ATOM 728 CZ PHE A 45 8.767 1.487 6.699 1.00 6.84 C ATOM 0 H PHE A 45 2.453 3.788 6.634 1.00 6.75 H new ATOM 0 HA PHE A 45 3.363 1.462 8.154 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.165 0.729 6.091 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.378 2.352 5.466 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.272 3.754 6.368 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.950 -0.551 6.943 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.840 3.601 6.315 1.00 6.64 H new ATOM 0 HE2 PHE A 45 8.507 -0.622 7.167 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.844 1.402 6.708 1.00 6.84 H new ATOM 738 N ALA A 46 4.888 3.038 9.469 1.00 6.53 N ATOM 739 CA ALA A 46 5.736 3.853 10.327 1.00 7.15 C ATOM 740 C ALA A 46 5.295 5.269 10.618 1.00 9.00 C ATOM 741 O ALA A 46 6.018 6.311 10.574 1.00 11.15 O ATOM 742 CB ALA A 46 7.183 3.949 9.748 1.00 8.99 C ATOM 0 H ALA A 46 4.734 2.115 9.875 1.00 6.53 H new ATOM 0 HA ALA A 46 5.671 3.313 11.272 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.798 4.563 10.406 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.613 2.950 9.676 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.149 4.401 8.757 1.00 8.99 H new ATOM 748 N GLY A 47 3.995 5.392 10.982 1.00 9.35 N ATOM 749 CA GLY A 47 3.321 6.575 11.250 1.00 11.68 C ATOM 750 C GLY A 47 2.941 7.435 10.055 1.00 11.14 C ATOM 751 O GLY A 47 2.392 8.513 10.149 1.00 13.93 O ATOM 0 H GLY A 47 3.393 4.575 11.089 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.410 6.330 11.796 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.940 7.175 11.917 1.00 11.68 H new ATOM 755 N LYS A 48 3.230 6.945 8.864 1.00 10.47 N ATOM 756 CA LYS A 48 2.968 7.585 7.583 1.00 8.82 C ATOM 757 C LYS A 48 1.815 6.819 6.902 1.00 7.68 C ATOM 758 O LYS A 48 1.790 5.576 6.777 1.00 6.47 O ATOM 759 CB LYS A 48 4.241 7.601 6.675 1.00 9.74 C ATOM 760 CG LYS A 48 5.385 8.199 7.490 1.00 14.14 C ATOM 761 CD LYS A 48 6.725 8.224 6.806 1.00 16.32 C ATOM 762 CE LYS A 48 7.885 8.816 7.589 1.00 20.04 C ATOM 763 NZ LYS A 48 9.071 8.870 6.760 1.00 23.92 N ATOM 0 H LYS A 48 3.680 6.036 8.756 1.00 10.47 H new ATOM 0 HA LYS A 48 2.690 8.627 7.743 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.491 6.591 6.349 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.062 8.191 5.776 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.118 9.220 7.764 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.481 7.634 8.418 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.986 7.201 6.534 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.621 8.785 5.877 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.627 9.817 7.934 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.080 8.214 8.476 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.858 9.276 7.306 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.323 7.909 6.452 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.885 9.463 5.926 1.00 23.92 H new ATOM 777 N GLN A 49 0.902 7.624 6.415 1.00 8.89 N ATOM 778 CA GLN A 49 -0.056 7.259 5.322 1.00 7.18 C ATOM 779 C GLN A 49 0.692 7.362 4.021 1.00 8.23 C ATOM 780 O GLN A 49 1.391 8.318 3.670 1.00 9.70 O ATOM 781 CB GLN A 49 -1.373 8.089 5.139 1.00 11.67 C ATOM 782 CG GLN A 49 -2.325 7.895 6.314 1.00 15.82 C ATOM 783 CD GLN A 49 -3.538 8.812 6.164 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.267 8.742 5.167 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.673 9.739 7.053 1.00 20.67 N ATOM 0 H GLN A 49 0.776 8.578 6.754 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.404 6.270 5.619 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.127 9.146 5.040 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.868 7.789 4.215 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.649 6.855 6.362 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.809 8.111 7.250 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.052 9.764 7.862 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.400 10.446 6.946 1.00 20.67 H new ATOM 794 N LEU A 50 0.653 6.306 3.169 1.00 6.51 N ATOM 795 CA LEU A 50 1.480 6.307 1.954 1.00 7.41 C ATOM 796 C LEU A 50 0.619 6.889 0.842 1.00 8.27 C ATOM 797 O LEU A 50 -0.569 6.494 0.741 1.00 8.34 O ATOM 798 CB LEU A 50 2.173 4.966 1.612 1.00 7.13 C ATOM 799 CG LEU A 50 2.572 4.058 2.756 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.162 2.728 2.301 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.681 4.810 3.627 1.00 9.11 C ATOM 0 H LEU A 50 0.077 5.475 3.300 1.00 6.51 H new ATOM 0 HA LEU A 50 2.358 6.932 2.115 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.507 4.404 0.957 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.071 5.192 1.037 1.00 7.13 H new ATOM 0 HG LEU A 50 1.666 3.839 3.320 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.425 2.129 3.173 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.428 2.191 1.700 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.055 2.911 1.704 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.984 4.174 4.458 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.547 5.028 3.003 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.269 5.742 4.015 1.00 9.11 H new ATOM 813 N GLU A 51 1.165 7.823 -0.051 1.00 9.43 N ATOM 814 CA GLU A 51 0.296 8.649 -0.943 1.00 11.90 C ATOM 815 C GLU A 51 0.781 8.645 -2.333 1.00 11.49 C ATOM 816 O GLU A 51 1.936 8.395 -2.559 1.00 9.88 O ATOM 817 CB GLU A 51 0.265 10.106 -0.462 1.00 16.56 C ATOM 818 CG GLU A 51 -0.476 10.136 0.916 1.00 26.06 C ATOM 819 CD GLU A 51 -0.338 11.551 1.439 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.806 11.926 1.795 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.319 12.299 1.588 1.00 32.13 O ATOM 0 H GLU A 51 2.164 8.000 -0.152 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.700 8.208 -0.905 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.277 10.497 -0.360 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.249 10.737 -1.187 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.525 9.864 0.800 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.036 9.420 1.610 1.00 26.06 H new ATOM 828 N ASP A 52 -0.147 8.697 -3.343 1.00 12.71 N ATOM 829 CA ASP A 52 -0.011 8.098 -4.690 1.00 16.56 C ATOM 830 C ASP A 52 1.337 8.265 -5.511 1.00 15.83 C ATOM 831 O ASP A 52 1.913 7.278 -6.015 1.00 17.21 O ATOM 832 CB ASP A 52 -1.091 8.703 -5.567 1.00 21.05 C ATOM 833 CG ASP A 52 -2.488 8.336 -5.137 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.976 8.682 -4.060 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.107 7.563 -5.925 1.00 25.82 O ATOM 0 H ASP A 52 -1.039 9.178 -3.224 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.064 7.031 -4.472 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.990 9.788 -5.558 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.938 8.377 -6.596 1.00 21.05 H new ATOM 840 N GLY A 53 1.742 9.545 -5.657 1.00 15.00 N ATOM 841 CA GLY A 53 2.835 9.872 -6.557 1.00 11.77 C ATOM 842 C GLY A 53 4.138 9.596 -6.019 1.00 11.10 C ATOM 843 O GLY A 53 5.121 9.662 -6.762 1.00 11.25 O ATOM 0 H GLY A 53 1.331 10.342 -5.170 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.709 9.311 -7.483 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.776 10.930 -6.814 1.00 11.77 H new ATOM 847 N ARG A 54 4.267 9.239 -4.712 1.00 8.53 N ATOM 848 CA ARG A 54 5.512 8.950 -4.090 1.00 9.05 C ATOM 849 C ARG A 54 5.941 7.563 -4.295 1.00 8.96 C ATOM 850 O ARG A 54 5.148 6.610 -4.522 1.00 11.60 O ATOM 851 CB ARG A 54 5.472 9.300 -2.600 1.00 7.97 C ATOM 852 CG ARG A 54 5.475 10.820 -2.289 1.00 9.62 C ATOM 853 CD ARG A 54 5.649 11.036 -0.786 1.00 12.20 C ATOM 854 NE ARG A 54 5.659 12.534 -0.534 1.00 18.23 N ATOM 855 CZ ARG A 54 6.697 13.356 -0.793 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.947 12.884 -0.981 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.594 14.661 -0.669 1.00 23.38 N ATOM 0 H ARG A 54 3.470 9.153 -4.081 1.00 8.53 H new ATOM 0 HA ARG A 54 6.258 9.579 -4.575 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.579 8.855 -2.160 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.331 8.841 -2.110 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.282 11.311 -2.833 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.542 11.272 -2.626 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.838 10.561 -0.235 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.578 10.583 -0.439 1.00 12.20 H new ATOM 0 HE ARG A 54 4.816 12.950 -0.139 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.127 11.881 -0.929 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.712 13.530 -1.175 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.712 15.077 -0.370 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.396 15.257 -0.872 1.00 23.38 H new ATOM 871 N THR A 55 7.256 7.254 -4.205 1.00 9.05 N ATOM 872 CA THR A 55 7.740 5.858 -4.264 1.00 9.03 C ATOM 873 C THR A 55 7.793 5.152 -2.883 1.00 8.15 C ATOM 874 O THR A 55 7.711 5.808 -1.860 1.00 5.91 O ATOM 875 CB THR A 55 9.079 5.775 -4.993 1.00 11.15 C ATOM 876 OG1 THR A 55 10.009 6.557 -4.353 1.00 11.95 O ATOM 877 CG2 THR A 55 9.128 6.228 -6.418 1.00 11.71 C ATOM 0 H THR A 55 7.995 7.948 -4.092 1.00 9.05 H new ATOM 0 HA THR A 55 6.997 5.305 -4.839 1.00 9.03 H new ATOM 0 HB THR A 55 9.272 4.702 -4.983 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.840 6.050 -4.239 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.141 6.111 -6.802 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.442 5.627 -7.015 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.837 7.277 -6.477 1.00 11.71 H new ATOM 885 N LEU A 56 7.956 3.783 -2.911 1.00 6.91 N ATOM 886 CA LEU A 56 8.272 2.963 -1.688 1.00 8.29 C ATOM 887 C LEU A 56 9.628 3.354 -1.119 1.00 8.05 C ATOM 888 O LEU A 56 9.782 3.371 0.100 1.00 10.17 O ATOM 889 CB LEU A 56 8.318 1.497 -2.146 1.00 6.60 C ATOM 890 CG LEU A 56 6.980 0.842 -2.266 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.067 -0.359 -3.207 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.354 0.352 -0.964 1.00 8.64 C ATOM 0 H LEU A 56 7.874 3.230 -3.764 1.00 6.91 H new ATOM 0 HA LEU A 56 7.523 3.124 -0.913 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.821 1.447 -3.112 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.925 0.928 -1.441 1.00 6.60 H new ATOM 0 HG LEU A 56 6.336 1.636 -2.644 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.087 -0.830 -3.288 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.392 -0.026 -4.193 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.784 -1.079 -2.813 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.387 -0.105 -1.175 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.010 -0.385 -0.500 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.217 1.195 -0.286 1.00 8.64 H new ATOM 904 N SER A 57 10.625 3.773 -1.936 1.00 8.92 N ATOM 905 CA SER A 57 11.946 4.228 -1.580 1.00 9.00 C ATOM 906 C SER A 57 12.001 5.547 -0.823 1.00 9.44 C ATOM 907 O SER A 57 12.787 5.828 0.089 1.00 10.91 O ATOM 908 CB SER A 57 12.868 4.445 -2.820 1.00 10.32 C ATOM 909 OG SER A 57 12.305 5.172 -3.886 1.00 13.59 O ATOM 0 H SER A 57 10.489 3.794 -2.947 1.00 8.92 H new ATOM 0 HA SER A 57 12.287 3.415 -0.939 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.771 4.960 -2.491 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.176 3.469 -3.194 1.00 10.32 H new ATOM 0 HG SER A 57 12.961 5.253 -4.609 1.00 13.59 H new ATOM 915 N ASP A 58 10.994 6.422 -1.088 1.00 9.11 N ATOM 916 CA ASP A 58 10.858 7.738 -0.497 1.00 7.91 C ATOM 917 C ASP A 58 10.381 7.564 0.936 1.00 9.12 C ATOM 918 O ASP A 58 10.962 8.270 1.746 1.00 8.61 O ATOM 919 CB ASP A 58 9.915 8.481 -1.469 1.00 8.41 C ATOM 920 CG ASP A 58 9.818 9.930 -1.060 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.731 10.658 -1.464 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.763 10.330 -0.464 1.00 11.70 O ATOM 0 H ASP A 58 10.242 6.203 -1.742 1.00 9.11 H new ATOM 0 HA ASP A 58 11.767 8.331 -0.394 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.291 8.404 -2.489 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.927 8.021 -1.458 1.00 8.41 H new ATOM 927 N TYR A 59 9.549 6.528 1.216 1.00 7.97 N ATOM 928 CA TYR A 59 9.133 6.185 2.552 1.00 8.45 C ATOM 929 C TYR A 59 10.130 5.294 3.293 1.00 10.98 C ATOM 930 O TYR A 59 9.856 4.907 4.442 1.00 12.95 O ATOM 931 CB TYR A 59 7.761 5.431 2.497 1.00 7.94 C ATOM 932 CG TYR A 59 6.733 6.362 2.021 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.418 7.469 2.810 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.095 6.141 0.798 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.383 8.322 2.345 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.093 6.998 0.309 1.00 6.52 C ATOM 937 CZ TYR A 59 4.722 8.049 1.133 1.00 6.76 C ATOM 938 OH TYR A 59 3.617 8.792 0.835 1.00 7.63 O ATOM 0 H TYR A 59 9.159 5.918 0.498 1.00 7.97 H new ATOM 0 HA TYR A 59 9.059 7.126 3.096 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.829 4.570 1.832 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.499 5.051 3.484 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.939 7.668 3.735 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.381 5.283 0.208 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.101 9.187 2.926 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.637 6.845 -0.658 1.00 6.52 H new ATOM 0 HH TYR A 59 3.585 9.579 1.418 1.00 7.63 H new ATOM 948 N ASN A 60 11.284 5.077 2.675 1.00 12.38 N ATOM 949 CA ASN A 60 12.342 4.232 3.037 1.00 13.94 C ATOM 950 C ASN A 60 11.847 2.853 3.413 1.00 14.16 C ATOM 951 O ASN A 60 12.155 2.372 4.521 1.00 14.26 O ATOM 952 CB ASN A 60 13.281 4.820 4.107 1.00 19.23 C ATOM 953 CG ASN A 60 13.928 6.004 3.599 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.384 7.106 3.651 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.203 5.921 3.127 1.00 24.09 N ATOM 0 H ASN A 60 11.494 5.565 1.804 1.00 12.38 H new ATOM 0 HA ASN A 60 12.959 4.137 2.143 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.714 5.063 5.006 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.029 4.080 4.392 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.691 6.764 2.824 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.670 5.016 3.077 1.00 24.09 H new ATOM 962 N ILE A 61 10.980 2.250 2.536 1.00 11.08 N ATOM 963 CA ILE A 61 10.490 0.933 2.690 1.00 11.78 C ATOM 964 C ILE A 61 11.414 -0.071 2.050 1.00 13.74 C ATOM 965 O ILE A 61 11.592 -0.132 0.803 1.00 14.60 O ATOM 966 CB ILE A 61 9.056 0.798 2.148 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.148 1.494 3.191 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.754 -0.656 1.741 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.690 1.876 2.724 1.00 11.42 C ATOM 0 H ILE A 61 10.625 2.717 1.702 1.00 11.08 H new ATOM 0 HA ILE A 61 10.456 0.719 3.758 1.00 11.78 H new ATOM 0 HB ILE A 61 8.870 1.304 1.201 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.066 0.841 4.060 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.648 2.404 3.523 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.734 -0.723 1.362 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.452 -0.969 0.964 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.862 -1.307 2.609 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.159 2.356 3.546 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.747 2.562 1.879 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.156 0.974 2.424 1.00 11.42 H new ATOM 981 N GLN A 62 12.113 -0.809 2.917 1.00 13.97 N ATOM 982 CA GLN A 62 13.052 -1.931 2.710 1.00 15.52 C ATOM 983 C GLN A 62 12.337 -3.260 2.723 1.00 13.94 C ATOM 984 O GLN A 62 11.137 -3.325 2.966 1.00 12.15 O ATOM 985 CB GLN A 62 14.137 -1.870 3.736 1.00 19.53 C ATOM 986 CG GLN A 62 14.957 -0.565 3.754 1.00 26.38 C ATOM 987 CD GLN A 62 15.882 -0.361 4.939 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.112 -1.183 5.783 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.429 0.831 5.004 1.00 32.71 N ATOM 0 H GLN A 62 12.026 -0.612 3.914 1.00 13.97 H new ATOM 0 HA GLN A 62 13.505 -1.836 1.723 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.691 -2.013 4.720 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.818 -2.705 3.570 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.555 -0.526 2.844 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.263 0.274 3.715 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.229 1.524 4.283 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.054 1.064 5.776 1.00 32.71 H new ATOM 998 N LYS A 63 13.082 -4.373 2.418 1.00 11.73 N ATOM 999 CA LYS A 63 12.481 -5.694 2.386 1.00 11.97 C ATOM 1000 C LYS A 63 11.826 -6.188 3.670 1.00 10.41 C ATOM 1001 O LYS A 63 12.295 -5.806 4.764 1.00 9.59 O ATOM 1002 CB LYS A 63 13.506 -6.793 1.958 1.00 13.73 C ATOM 1003 CG LYS A 63 14.826 -6.708 2.716 1.00 16.98 C ATOM 1004 CD LYS A 63 15.802 -7.854 2.242 1.00 20.19 C ATOM 1005 CE LYS A 63 16.441 -7.474 0.893 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.663 -8.275 0.644 1.00 25.97 N ATOM 0 H LYS A 63 14.078 -4.354 2.199 1.00 11.73 H new ATOM 0 HA LYS A 63 11.687 -5.548 1.653 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.064 -7.776 2.119 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.701 -6.703 0.889 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.288 -5.735 2.549 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.645 -6.795 3.787 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.579 -8.015 2.990 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.255 -8.792 2.144 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.724 -7.636 0.088 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.690 -6.413 0.890 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.077 -8.002 -0.270 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.353 -8.100 1.402 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.418 -9.286 0.625 1.00 25.97 H new ATOM 1020 N GLU A 64 10.685 -6.962 3.501 1.00 10.04 N ATOM 1021 CA GLU A 64 9.968 -7.545 4.649 1.00 10.94 C ATOM 1022 C GLU A 64 9.129 -6.535 5.463 1.00 9.74 C ATOM 1023 O GLU A 64 8.653 -6.765 6.602 1.00 9.42 O ATOM 1024 CB GLU A 64 10.779 -8.483 5.466 1.00 18.31 C ATOM 1025 CG GLU A 64 11.338 -9.651 4.558 1.00 24.16 C ATOM 1026 CD GLU A 64 12.107 -10.685 5.392 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.486 -11.395 6.257 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.384 -10.827 5.205 1.00 31.72 O ATOM 0 H GLU A 64 10.272 -7.177 2.593 1.00 10.04 H new ATOM 0 HA GLU A 64 9.216 -8.187 4.191 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.606 -7.948 5.934 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.171 -8.897 6.270 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.512 -10.139 4.040 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.994 -9.237 3.792 1.00 24.16 H new ATOM 1035 N SER A 65 8.853 -5.343 4.916 1.00 6.85 N ATOM 1036 CA SER A 65 8.032 -4.347 5.594 1.00 6.90 C ATOM 1037 C SER A 65 6.588 -4.687 5.840 1.00 4.72 C ATOM 1038 O SER A 65 6.001 -5.262 5.012 1.00 3.91 O ATOM 1039 CB SER A 65 8.091 -2.928 4.959 1.00 7.28 C ATOM 1040 OG SER A 65 9.417 -2.392 4.902 1.00 10.56 O ATOM 0 H SER A 65 9.192 -5.050 4.000 1.00 6.85 H new ATOM 0 HA SER A 65 8.524 -4.351 6.566 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.679 -2.971 3.951 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.457 -2.253 5.534 1.00 7.28 H new ATOM 0 HG SER A 65 9.905 -2.805 4.160 1.00 10.56 H new ATOM 1046 N THR A 66 5.981 -4.353 6.996 1.00 4.48 N ATOM 1047 CA THR A 66 4.530 -4.384 7.186 1.00 3.80 C ATOM 1048 C THR A 66 3.872 -3.111 6.758 1.00 4.60 C ATOM 1049 O THR A 66 4.083 -2.029 7.369 1.00 5.33 O ATOM 1050 CB THR A 66 4.174 -4.716 8.614 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.719 -5.938 9.087 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.660 -5.105 8.592 1.00 3.40 C ATOM 0 H THR A 66 6.493 -4.053 7.825 1.00 4.48 H new ATOM 0 HA THR A 66 4.147 -5.176 6.542 1.00 3.80 H new ATOM 0 HB THR A 66 4.506 -3.868 9.212 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.445 -6.080 10.017 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.335 -5.359 9.601 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.074 -4.264 8.222 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.515 -5.964 7.937 1.00 3.40 H new ATOM 1060 N LEU A 67 3.045 -3.248 5.718 1.00 4.17 N ATOM 1061 CA LEU A 67 2.106 -2.190 5.301 1.00 3.85 C ATOM 1062 C LEU A 67 0.762 -2.583 5.701 1.00 3.80 C ATOM 1063 O LEU A 67 0.372 -3.753 5.821 1.00 5.54 O ATOM 1064 CB LEU A 67 2.024 -2.126 3.736 1.00 7.18 C ATOM 1065 CG LEU A 67 3.110 -1.329 3.004 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.560 -1.668 3.414 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.977 -1.491 1.452 1.00 11.66 C ATOM 0 H LEU A 67 3.003 -4.088 5.141 1.00 4.17 H new ATOM 0 HA LEU A 67 2.442 -1.250 5.738 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.042 -3.147 3.356 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.056 -1.703 3.467 1.00 7.18 H new ATOM 0 HG LEU A 67 2.932 -0.297 3.308 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.253 -1.052 2.841 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.693 -1.470 4.478 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.758 -2.721 3.213 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.760 -0.915 0.958 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.078 -2.543 1.186 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.001 -1.127 1.131 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.111 -1.589 5.974 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.457 -1.854 6.561 1.00 4.17 C ATOM 1081 C HIS A 68 -2.512 -1.247 5.705 1.00 5.32 C ATOM 1082 O HIS A 68 -2.495 -0.095 5.414 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.602 -1.204 7.966 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.693 -1.704 8.993 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.607 -1.346 8.986 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.859 -2.617 9.960 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.214 -2.066 10.040 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.359 -2.859 10.640 1.00 16.30 N ATOM 0 H HIS A 68 0.083 -0.602 5.802 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.565 -2.936 6.631 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.451 -0.129 7.866 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.626 -1.352 8.310 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.060 -0.690 8.350 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.796 -3.103 10.190 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.254 -1.974 10.317 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.339 -2.127 5.139 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.396 -1.619 4.348 1.00 3.97 C ATOM 1098 C LEU A 69 -5.592 -1.045 5.096 1.00 5.07 C ATOM 1099 O LEU A 69 -6.177 -1.800 5.879 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.830 -2.816 3.458 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.836 -2.425 2.344 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.193 -1.459 1.323 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.323 -3.698 1.683 1.00 9.96 C ATOM 0 H LEU A 69 -3.283 -3.142 5.222 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.030 -0.752 3.798 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.945 -3.257 2.999 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.278 -3.584 4.089 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.683 -1.892 2.776 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.923 -1.203 0.555 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.871 -0.552 1.834 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.332 -1.940 0.860 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.033 -3.450 0.894 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.476 -4.232 1.253 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.811 -4.330 2.425 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.958 0.193 4.854 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.102 0.890 5.434 1.00 6.26 C ATOM 1117 C VAL A 70 -7.978 1.274 4.259 1.00 9.22 C ATOM 1118 O VAL A 70 -7.446 1.443 3.143 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.691 2.095 6.302 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.893 2.574 7.023 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.562 1.607 7.278 1.00 8.54 C ATOM 0 H VAL A 70 -5.437 0.785 4.207 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.643 0.251 6.132 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.303 2.926 5.713 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.627 3.428 7.646 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.654 2.873 6.303 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.283 1.774 7.652 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.245 2.436 7.911 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.945 0.800 7.903 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.712 1.246 6.699 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.292 1.465 4.384 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.262 1.707 3.283 1.00 16.06 C ATOM 1133 C LEU A 71 -11.215 2.791 3.704 1.00 18.09 C ATOM 1134 O LEU A 71 -11.796 2.828 4.764 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.040 0.438 2.913 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.261 -0.814 2.588 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.289 -1.890 2.208 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.362 -0.685 1.368 1.00 19.57 C ATOM 0 H LEU A 71 -9.745 1.457 5.298 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.706 2.013 2.397 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.710 0.206 3.741 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.666 0.672 2.052 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.642 -1.036 3.457 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.771 -2.818 1.964 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.964 -2.061 3.047 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.863 -1.556 1.343 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.837 -1.626 1.202 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.968 -0.447 0.493 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.636 0.111 1.534 1.00 19.57 H new