USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 20 SER OG : rot -90:sc= 0.998 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.866 K(o=1.9,f=-0.38) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.871 K(o=-0.87,f=-0.11) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0069 USER MOD Single : A 15 TYR OH : rot -140:sc= 1.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -100:sc= 1.28 USER MOD Single : A 25 GLN : amide:sc= -0.954 K(o=-0.95,f=-0.083) USER MOD Single : A 29 SER OG : rot 80:sc= 1.28 USER MOD Single : A 30 MET CE :methyl 136:sc= -2.8! (180deg=-5.87!) USER MOD Single : A 51 GLN : amide:sc= -1.97! C(o=-2!,f=-5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.058) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 29:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 171:sc= 0.00049 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.269 1.870 -21.180 1.00 0.00 N ATOM 2 CA MET A 1 8.843 1.538 -20.962 1.00 0.00 C ATOM 3 C MET A 1 8.690 0.228 -20.201 1.00 0.00 C ATOM 4 O MET A 1 8.272 0.212 -19.044 1.00 0.00 O ATOM 5 CB MET A 1 8.103 1.432 -22.298 1.00 0.00 C ATOM 6 CG MET A 1 7.764 2.772 -22.923 1.00 0.00 C ATOM 7 SD MET A 1 6.712 3.775 -21.861 1.00 0.00 S ATOM 8 CE MET A 1 6.271 5.091 -22.988 1.00 0.00 C ATOM 0 H1 MET A 1 10.341 2.767 -21.701 1.00 0.00 H new ATOM 0 H2 MET A 1 10.748 1.963 -20.262 1.00 0.00 H new ATOM 0 H3 MET A 1 10.721 1.113 -21.731 1.00 0.00 H new ATOM 0 HA MET A 1 8.410 2.343 -20.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.715 0.861 -22.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.182 0.869 -22.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.685 3.315 -23.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.263 2.609 -23.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.618 5.801 -22.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.174 5.603 -23.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.752 4.673 -23.851 1.00 0.00 H new ATOM 17 N SER A 2 9.061 -0.867 -20.847 1.00 0.00 N ATOM 18 CA SER A 2 8.777 -2.196 -20.334 1.00 0.00 C ATOM 19 C SER A 2 9.950 -2.752 -19.523 1.00 0.00 C ATOM 20 O SER A 2 10.436 -3.851 -19.787 1.00 0.00 O ATOM 21 CB SER A 2 8.438 -3.124 -21.502 1.00 0.00 C ATOM 22 OG SER A 2 7.439 -2.546 -22.329 1.00 0.00 O ATOM 0 H SER A 2 9.563 -0.859 -21.735 1.00 0.00 H new ATOM 0 HA SER A 2 7.924 -2.133 -19.658 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.335 -3.320 -22.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.091 -4.084 -21.121 1.00 0.00 H new ATOM 0 HG SER A 2 7.237 -3.153 -23.071 1.00 0.00 H new ATOM 28 N ALA A 3 10.401 -1.985 -18.538 1.00 0.00 N ATOM 29 CA ALA A 3 11.414 -2.462 -17.607 1.00 0.00 C ATOM 30 C ALA A 3 10.744 -3.198 -16.454 1.00 0.00 C ATOM 31 O ALA A 3 10.269 -2.581 -15.500 1.00 0.00 O ATOM 32 CB ALA A 3 12.258 -1.309 -17.087 1.00 0.00 C ATOM 0 H ALA A 3 10.082 -1.032 -18.364 1.00 0.00 H new ATOM 0 HA ALA A 3 12.077 -3.150 -18.132 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.007 -1.691 -16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.755 -0.816 -17.923 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.618 -0.593 -16.572 1.00 0.00 H new ATOM 38 N LEU A 4 10.670 -4.513 -16.556 1.00 0.00 N ATOM 39 CA LEU A 4 9.968 -5.304 -15.560 1.00 0.00 C ATOM 40 C LEU A 4 10.921 -6.234 -14.824 1.00 0.00 C ATOM 41 O LEU A 4 11.213 -7.337 -15.288 1.00 0.00 O ATOM 42 CB LEU A 4 8.838 -6.107 -16.214 1.00 0.00 C ATOM 43 CG LEU A 4 8.019 -6.976 -15.259 1.00 0.00 C ATOM 44 CD1 LEU A 4 7.298 -6.118 -14.229 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.025 -7.825 -16.034 1.00 0.00 C ATOM 0 H LEU A 4 11.085 -5.054 -17.314 1.00 0.00 H new ATOM 0 HA LEU A 4 9.536 -4.619 -14.831 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.164 -5.413 -16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.268 -6.747 -16.984 1.00 0.00 H new ATOM 0 HG LEU A 4 8.704 -7.639 -14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.722 -6.758 -13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.029 -5.554 -13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.626 -5.427 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.450 -8.437 -15.339 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.349 -7.176 -16.591 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.562 -8.471 -16.729 1.00 0.00 H new ATOM 57 N GLN A 5 11.429 -5.762 -13.695 1.00 0.00 N ATOM 58 CA GLN A 5 12.251 -6.580 -12.813 1.00 0.00 C ATOM 59 C GLN A 5 11.802 -6.381 -11.375 1.00 0.00 C ATOM 60 O GLN A 5 12.289 -5.490 -10.681 1.00 0.00 O ATOM 61 CB GLN A 5 13.739 -6.238 -12.951 1.00 0.00 C ATOM 62 CG GLN A 5 14.316 -6.541 -14.323 1.00 0.00 C ATOM 63 CD GLN A 5 14.250 -8.015 -14.685 1.00 0.00 C ATOM 64 OE1 GLN A 5 14.083 -8.367 -15.852 1.00 0.00 O ATOM 65 NE2 GLN A 5 14.416 -8.886 -13.700 1.00 0.00 N ATOM 0 H GLN A 5 11.285 -4.808 -13.365 1.00 0.00 H new ATOM 0 HA GLN A 5 12.124 -7.624 -13.099 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.880 -5.179 -12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.301 -6.794 -12.201 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.775 -5.964 -15.073 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.354 -6.211 -14.355 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.552 -8.556 -12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.408 -9.887 -13.897 1.00 0.00 H new ATOM 74 N PRO A 6 10.831 -7.185 -10.924 1.00 0.00 N ATOM 75 CA PRO A 6 10.287 -7.080 -9.569 1.00 0.00 C ATOM 76 C PRO A 6 11.315 -7.458 -8.509 1.00 0.00 C ATOM 77 O PRO A 6 12.019 -8.461 -8.647 1.00 0.00 O ATOM 78 CB PRO A 6 9.125 -8.077 -9.566 1.00 0.00 C ATOM 79 CG PRO A 6 9.431 -9.039 -10.661 1.00 0.00 C ATOM 80 CD PRO A 6 10.184 -8.256 -11.701 1.00 0.00 C ATOM 0 HA PRO A 6 9.985 -6.060 -9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.046 -8.586 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.174 -7.573 -9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.028 -9.873 -10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.516 -9.461 -11.077 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.917 -8.876 -12.217 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.516 -7.852 -12.461 1.00 0.00 H new ATOM 88 N SER A 7 11.401 -6.658 -7.456 1.00 0.00 N ATOM 89 CA SER A 7 12.348 -6.929 -6.392 1.00 0.00 C ATOM 90 C SER A 7 11.783 -7.997 -5.456 1.00 0.00 C ATOM 91 O SER A 7 12.131 -9.171 -5.568 1.00 0.00 O ATOM 92 CB SER A 7 12.692 -5.640 -5.631 1.00 0.00 C ATOM 93 OG SER A 7 13.731 -5.847 -4.688 1.00 0.00 O ATOM 0 H SER A 7 10.831 -5.824 -7.319 1.00 0.00 H new ATOM 0 HA SER A 7 13.273 -7.308 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.993 -4.869 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.803 -5.272 -5.118 1.00 0.00 H new ATOM 0 HG SER A 7 13.924 -5.006 -4.224 1.00 0.00 H new ATOM 99 N ARG A 8 10.898 -7.600 -4.551 1.00 0.00 N ATOM 100 CA ARG A 8 10.263 -8.549 -3.652 1.00 0.00 C ATOM 101 C ARG A 8 8.768 -8.284 -3.543 1.00 0.00 C ATOM 102 O ARG A 8 8.238 -7.371 -4.180 1.00 0.00 O ATOM 103 CB ARG A 8 10.911 -8.523 -2.265 1.00 0.00 C ATOM 104 CG ARG A 8 12.169 -9.375 -2.165 1.00 0.00 C ATOM 105 CD ARG A 8 13.414 -8.643 -2.641 1.00 0.00 C ATOM 106 NE ARG A 8 13.877 -7.666 -1.662 1.00 0.00 N ATOM 107 CZ ARG A 8 15.061 -7.738 -1.048 1.00 0.00 C ATOM 108 NH1 ARG A 8 15.939 -8.669 -1.398 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.379 -6.869 -0.101 1.00 0.00 N ATOM 0 H ARG A 8 10.606 -6.631 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 8 10.407 -9.543 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.158 -7.493 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.187 -8.871 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.310 -9.687 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.037 -10.281 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.207 -9.365 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.201 -8.139 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 8 13.263 -6.884 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.711 -9.333 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.842 -8.721 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.718 -6.139 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.285 -6.930 0.364 1.00 0.00 H new ATOM 123 N SER A 9 8.089 -9.092 -2.746 1.00 0.00 N ATOM 124 CA SER A 9 6.649 -8.987 -2.601 1.00 0.00 C ATOM 125 C SER A 9 6.278 -8.575 -1.181 1.00 0.00 C ATOM 126 O SER A 9 6.876 -9.040 -0.208 1.00 0.00 O ATOM 127 CB SER A 9 6.004 -10.324 -2.951 1.00 0.00 C ATOM 128 OG SER A 9 6.543 -10.829 -4.159 1.00 0.00 O ATOM 0 H SER A 9 8.516 -9.831 -2.187 1.00 0.00 H new ATOM 0 HA SER A 9 6.280 -8.220 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.170 -11.038 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.926 -10.200 -3.050 1.00 0.00 H new ATOM 0 HG SER A 9 6.122 -11.688 -4.371 1.00 0.00 H new ATOM 134 N TYR A 10 5.299 -7.693 -1.068 1.00 0.00 N ATOM 135 CA TYR A 10 4.864 -7.199 0.226 1.00 0.00 C ATOM 136 C TYR A 10 3.395 -7.539 0.437 1.00 0.00 C ATOM 137 O TYR A 10 2.571 -7.315 -0.445 1.00 0.00 O ATOM 138 CB TYR A 10 5.049 -5.680 0.313 1.00 0.00 C ATOM 139 CG TYR A 10 6.443 -5.197 -0.026 1.00 0.00 C ATOM 140 CD1 TYR A 10 6.848 -5.060 -1.350 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.347 -4.868 0.975 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.115 -4.611 -1.665 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.615 -4.414 0.668 1.00 0.00 C ATOM 144 CZ TYR A 10 8.994 -4.289 -0.653 1.00 0.00 C ATOM 145 OH TYR A 10 10.255 -3.836 -0.965 1.00 0.00 O ATOM 0 H TYR A 10 4.789 -7.304 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 10 5.469 -7.674 0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.338 -5.201 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.801 -5.354 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.160 -5.309 -2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.054 -4.969 2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.416 -4.513 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.306 -4.158 1.458 1.00 0.00 H new ATOM 0 HH TYR A 10 10.750 -3.652 -0.139 1.00 0.00 H new ATOM 155 N ARG A 11 3.071 -8.083 1.593 1.00 0.00 N ATOM 156 CA ARG A 11 1.686 -8.371 1.926 1.00 0.00 C ATOM 157 C ARG A 11 1.107 -7.245 2.762 1.00 0.00 C ATOM 158 O ARG A 11 1.820 -6.589 3.527 1.00 0.00 O ATOM 159 CB ARG A 11 1.548 -9.700 2.672 1.00 0.00 C ATOM 160 CG ARG A 11 2.550 -9.881 3.799 1.00 0.00 C ATOM 161 CD ARG A 11 2.170 -11.035 4.714 1.00 0.00 C ATOM 162 NE ARG A 11 1.884 -12.263 3.974 1.00 0.00 N ATOM 163 CZ ARG A 11 1.956 -13.481 4.506 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.419 -13.647 5.738 1.00 0.00 N ATOM 165 NH2 ARG A 11 1.595 -14.534 3.785 1.00 0.00 N ATOM 0 H ARG A 11 3.744 -8.335 2.317 1.00 0.00 H new ATOM 0 HA ARG A 11 1.131 -8.454 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.540 -9.773 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.664 -10.518 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.540 -10.061 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.612 -8.961 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.982 -11.219 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.295 -10.756 5.302 1.00 0.00 H new ATOM 0 HE ARG A 11 1.614 -12.182 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.722 -12.839 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.472 -14.582 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.264 -14.408 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.648 -15.470 4.187 1.00 0.00 H new ATOM 179 N ILE A 12 -0.182 -7.021 2.608 1.00 0.00 N ATOM 180 CA ILE A 12 -0.859 -5.955 3.323 1.00 0.00 C ATOM 181 C ILE A 12 -1.451 -6.488 4.622 1.00 0.00 C ATOM 182 O ILE A 12 -2.353 -7.331 4.597 1.00 0.00 O ATOM 183 CB ILE A 12 -1.996 -5.339 2.476 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.511 -5.048 1.052 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.521 -4.067 3.133 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.589 -4.513 0.132 1.00 0.00 C ATOM 0 H ILE A 12 -0.785 -7.565 1.991 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.119 -5.183 3.535 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.812 -6.060 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.695 -4.327 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.103 -5.964 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.321 -3.646 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.906 -4.302 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.712 -3.342 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.167 -4.332 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.396 -5.242 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.981 -3.579 0.535 1.00 0.00 H new ATOM 198 N THR A 13 -0.940 -6.018 5.750 1.00 0.00 N ATOM 199 CA THR A 13 -1.478 -6.411 7.040 1.00 0.00 C ATOM 200 C THR A 13 -2.664 -5.533 7.411 1.00 0.00 C ATOM 201 O THR A 13 -3.516 -5.924 8.209 1.00 0.00 O ATOM 202 CB THR A 13 -0.412 -6.345 8.149 1.00 0.00 C ATOM 203 OG1 THR A 13 0.300 -5.105 8.080 1.00 0.00 O ATOM 204 CG2 THR A 13 0.562 -7.504 8.031 1.00 0.00 C ATOM 0 H THR A 13 -0.157 -5.367 5.797 1.00 0.00 H new ATOM 0 HA THR A 13 -1.807 -7.446 6.952 1.00 0.00 H new ATOM 0 HB THR A 13 -0.920 -6.413 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.974 -5.075 8.791 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.306 -7.436 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.020 -8.445 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.060 -7.463 7.062 1.00 0.00 H new ATOM 212 N GLY A 14 -2.725 -4.345 6.819 1.00 0.00 N ATOM 213 CA GLY A 14 -3.838 -3.463 7.066 1.00 0.00 C ATOM 214 C GLY A 14 -3.531 -2.040 6.676 1.00 0.00 C ATOM 215 O GLY A 14 -2.735 -1.791 5.772 1.00 0.00 O ATOM 0 H GLY A 14 -2.022 -3.982 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.707 -3.812 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.102 -3.500 8.123 1.00 0.00 H new ATOM 219 N TYR A 15 -4.153 -1.107 7.364 1.00 0.00 N ATOM 220 CA TYR A 15 -3.956 0.300 7.083 1.00 0.00 C ATOM 221 C TYR A 15 -3.110 0.925 8.175 1.00 0.00 C ATOM 222 O TYR A 15 -2.917 0.320 9.231 1.00 0.00 O ATOM 223 CB TYR A 15 -5.305 1.013 6.993 1.00 0.00 C ATOM 224 CG TYR A 15 -6.232 0.413 5.963 1.00 0.00 C ATOM 225 CD1 TYR A 15 -7.077 -0.643 6.290 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.266 0.900 4.664 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.923 -1.194 5.349 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.111 0.354 3.720 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.938 -0.691 4.067 1.00 0.00 C ATOM 230 OH TYR A 15 -8.781 -1.235 3.131 1.00 0.00 O ATOM 0 H TYR A 15 -4.803 -1.298 8.126 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.442 0.404 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.790 0.983 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.138 2.063 6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.071 -1.037 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.620 1.720 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.570 -2.016 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.124 0.744 2.713 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.319 -1.292 2.269 1.00 0.00 H new ATOM 240 N SER A 16 -2.585 2.111 7.907 1.00 0.00 N ATOM 241 CA SER A 16 -1.835 2.863 8.906 1.00 0.00 C ATOM 242 C SER A 16 -2.642 3.004 10.197 1.00 0.00 C ATOM 243 O SER A 16 -3.817 3.375 10.165 1.00 0.00 O ATOM 244 CB SER A 16 -1.489 4.251 8.365 1.00 0.00 C ATOM 245 OG SER A 16 -0.685 4.981 9.277 1.00 0.00 O ATOM 0 H SER A 16 -2.664 2.576 7.003 1.00 0.00 H new ATOM 0 HA SER A 16 -0.917 2.318 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.964 4.151 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.407 4.804 8.165 1.00 0.00 H new ATOM 0 HG SER A 16 -0.481 5.862 8.900 1.00 0.00 H new ATOM 251 N PRO A 17 -2.020 2.714 11.351 1.00 0.00 N ATOM 252 CA PRO A 17 -2.673 2.835 12.659 1.00 0.00 C ATOM 253 C PRO A 17 -3.000 4.285 13.010 1.00 0.00 C ATOM 254 O PRO A 17 -3.625 4.562 14.032 1.00 0.00 O ATOM 255 CB PRO A 17 -1.640 2.267 13.645 1.00 0.00 C ATOM 256 CG PRO A 17 -0.658 1.528 12.803 1.00 0.00 C ATOM 257 CD PRO A 17 -0.638 2.234 11.477 1.00 0.00 C ATOM 0 HA PRO A 17 -3.628 2.309 12.680 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.154 3.064 14.208 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.112 1.605 14.371 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.331 1.531 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.951 0.485 12.686 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.079 3.055 11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.366 1.561 10.663 1.00 0.00 H new ATOM 265 N ALA A 18 -2.564 5.206 12.156 1.00 0.00 N ATOM 266 CA ALA A 18 -2.828 6.624 12.347 1.00 0.00 C ATOM 267 C ALA A 18 -3.570 7.202 11.144 1.00 0.00 C ATOM 268 O ALA A 18 -3.470 8.396 10.854 1.00 0.00 O ATOM 269 CB ALA A 18 -1.520 7.370 12.579 1.00 0.00 C ATOM 0 H ALA A 18 -2.022 4.991 11.319 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.462 6.746 13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.726 8.431 12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.028 6.974 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.869 7.240 11.715 1.00 0.00 H new ATOM 275 N ILE A 19 -4.309 6.350 10.441 1.00 0.00 N ATOM 276 CA ILE A 19 -5.100 6.793 9.298 1.00 0.00 C ATOM 277 C ILE A 19 -6.303 7.606 9.790 1.00 0.00 C ATOM 278 O ILE A 19 -6.789 7.399 10.905 1.00 0.00 O ATOM 279 CB ILE A 19 -5.567 5.598 8.429 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.121 6.092 7.086 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.611 4.767 9.167 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.419 4.975 6.109 1.00 0.00 C ATOM 0 H ILE A 19 -4.377 5.352 10.641 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.471 7.423 8.669 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.704 4.962 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.034 6.660 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.402 6.777 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.924 3.934 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.182 4.382 10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.474 5.390 9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.807 5.397 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.504 4.420 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.161 4.303 6.540 1.00 0.00 H new ATOM 294 N SER A 20 -6.782 8.529 8.969 1.00 0.00 N ATOM 295 CA SER A 20 -7.796 9.467 9.415 1.00 0.00 C ATOM 296 C SER A 20 -8.970 9.540 8.438 1.00 0.00 C ATOM 297 O SER A 20 -8.856 9.135 7.273 1.00 0.00 O ATOM 298 CB SER A 20 -7.161 10.851 9.593 1.00 0.00 C ATOM 299 OG SER A 20 -8.075 11.782 10.151 1.00 0.00 O ATOM 0 H SER A 20 -6.487 8.647 8.000 1.00 0.00 H new ATOM 0 HA SER A 20 -8.192 9.118 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.286 10.769 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.812 11.218 8.628 1.00 0.00 H new ATOM 0 HG SER A 20 -8.557 12.239 9.431 1.00 0.00 H new ATOM 305 N ASN A 21 -10.096 10.032 8.950 1.00 0.00 N ATOM 306 CA ASN A 21 -11.285 10.330 8.153 1.00 0.00 C ATOM 307 C ASN A 21 -11.875 9.079 7.525 1.00 0.00 C ATOM 308 O ASN A 21 -12.487 8.260 8.211 1.00 0.00 O ATOM 309 CB ASN A 21 -10.978 11.383 7.078 1.00 0.00 C ATOM 310 CG ASN A 21 -10.571 12.715 7.673 1.00 0.00 C ATOM 311 OD1 ASN A 21 -9.394 12.952 7.951 1.00 0.00 O ATOM 312 ND2 ASN A 21 -11.541 13.593 7.869 1.00 0.00 N ATOM 0 H ASN A 21 -10.210 10.238 9.942 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.032 10.739 8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.179 11.017 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.857 11.523 6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.328 14.509 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.502 13.354 7.624 1.00 0.00 H new ATOM 319 N GLY A 22 -11.678 8.920 6.227 1.00 0.00 N ATOM 320 CA GLY A 22 -12.250 7.793 5.528 1.00 0.00 C ATOM 321 C GLY A 22 -11.389 7.348 4.373 1.00 0.00 C ATOM 322 O GLY A 22 -11.886 6.781 3.400 1.00 0.00 O ATOM 0 H GLY A 22 -11.131 9.554 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.381 6.964 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.241 8.060 5.160 1.00 0.00 H new ATOM 326 N TYR A 23 -10.087 7.590 4.478 1.00 0.00 N ATOM 327 CA TYR A 23 -9.168 7.208 3.421 1.00 0.00 C ATOM 328 C TYR A 23 -9.129 5.684 3.312 1.00 0.00 C ATOM 329 O TYR A 23 -8.886 5.130 2.242 1.00 0.00 O ATOM 330 CB TYR A 23 -7.763 7.774 3.676 1.00 0.00 C ATOM 331 CG TYR A 23 -6.967 7.986 2.403 1.00 0.00 C ATOM 332 CD1 TYR A 23 -6.567 6.909 1.625 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.639 9.265 1.964 1.00 0.00 C ATOM 334 CE1 TYR A 23 -5.863 7.093 0.454 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.937 9.458 0.788 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.549 8.365 0.038 1.00 0.00 C ATOM 337 OH TYR A 23 -4.864 8.546 -1.143 1.00 0.00 O ATOM 0 H TYR A 23 -9.650 8.046 5.279 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.520 7.627 2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.851 8.723 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.217 7.094 4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.812 5.906 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.937 10.121 2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.559 6.240 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.694 10.457 0.458 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.917 8.708 -0.950 1.00 0.00 H new ATOM 347 N ARG A 24 -9.398 5.011 4.432 1.00 0.00 N ATOM 348 CA ARG A 24 -9.492 3.558 4.453 1.00 0.00 C ATOM 349 C ARG A 24 -10.537 3.081 3.459 1.00 0.00 C ATOM 350 O ARG A 24 -10.322 2.120 2.733 1.00 0.00 O ATOM 351 CB ARG A 24 -9.881 3.069 5.848 1.00 0.00 C ATOM 352 CG ARG A 24 -9.827 1.558 5.987 1.00 0.00 C ATOM 353 CD ARG A 24 -10.926 1.017 6.889 1.00 0.00 C ATOM 354 NE ARG A 24 -10.857 1.553 8.246 1.00 0.00 N ATOM 355 CZ ARG A 24 -11.464 0.995 9.295 1.00 0.00 C ATOM 356 NH1 ARG A 24 -12.150 -0.134 9.154 1.00 0.00 N ATOM 357 NH2 ARG A 24 -11.380 1.573 10.483 1.00 0.00 N ATOM 0 H ARG A 24 -9.554 5.455 5.337 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.517 3.154 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.214 3.519 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.889 3.413 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.914 1.102 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.856 1.268 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.897 1.258 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.856 -0.070 6.928 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.314 2.402 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.215 -0.580 8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.611 -0.555 9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.854 2.440 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.842 1.152 11.289 1.00 0.00 H new ATOM 371 N GLN A 25 -11.664 3.774 3.427 1.00 0.00 N ATOM 372 CA GLN A 25 -12.760 3.412 2.555 1.00 0.00 C ATOM 373 C GLN A 25 -12.387 3.652 1.099 1.00 0.00 C ATOM 374 O GLN A 25 -12.791 2.899 0.212 1.00 0.00 O ATOM 375 CB GLN A 25 -13.998 4.209 2.944 1.00 0.00 C ATOM 376 CG GLN A 25 -14.470 3.931 4.367 1.00 0.00 C ATOM 377 CD GLN A 25 -14.867 2.482 4.573 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.027 2.111 4.392 1.00 0.00 O ATOM 379 NE2 GLN A 25 -13.910 1.655 4.953 1.00 0.00 N ATOM 0 H GLN A 25 -11.840 4.598 4.002 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.976 2.350 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.784 5.273 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.805 3.977 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.676 4.190 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.320 4.574 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.961 2.002 5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.120 0.669 5.107 1.00 0.00 H new ATOM 388 N ARG A 26 -11.602 4.693 0.863 1.00 0.00 N ATOM 389 CA ARG A 26 -11.067 4.953 -0.464 1.00 0.00 C ATOM 390 C ARG A 26 -10.179 3.794 -0.897 1.00 0.00 C ATOM 391 O ARG A 26 -10.310 3.266 -2.001 1.00 0.00 O ATOM 392 CB ARG A 26 -10.249 6.245 -0.475 1.00 0.00 C ATOM 393 CG ARG A 26 -9.640 6.571 -1.830 1.00 0.00 C ATOM 394 CD ARG A 26 -10.644 7.239 -2.757 1.00 0.00 C ATOM 395 NE ARG A 26 -10.767 8.668 -2.476 1.00 0.00 N ATOM 396 CZ ARG A 26 -11.790 9.425 -2.868 1.00 0.00 C ATOM 397 NH1 ARG A 26 -12.828 8.882 -3.491 1.00 0.00 N ATOM 398 NH2 ARG A 26 -11.777 10.726 -2.617 1.00 0.00 N ATOM 0 H ARG A 26 -11.322 5.370 1.573 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.903 5.059 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.888 7.072 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.451 6.165 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.780 7.227 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.272 5.655 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.335 7.096 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.617 6.761 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.020 9.115 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.846 7.878 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.608 9.468 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.986 11.143 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.558 11.311 -2.915 1.00 0.00 H new ATOM 412 N LEU A 27 -9.292 3.396 0.004 1.00 0.00 N ATOM 413 CA LEU A 27 -8.331 2.335 -0.271 1.00 0.00 C ATOM 414 C LEU A 27 -9.045 1.001 -0.452 1.00 0.00 C ATOM 415 O LEU A 27 -8.729 0.231 -1.359 1.00 0.00 O ATOM 416 CB LEU A 27 -7.318 2.259 0.874 1.00 0.00 C ATOM 417 CG LEU A 27 -6.410 3.482 1.005 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.564 3.390 2.263 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.524 3.621 -0.221 1.00 0.00 C ATOM 0 H LEU A 27 -9.217 3.795 0.940 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.803 2.558 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.858 2.122 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.696 1.375 0.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.040 4.368 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.925 4.270 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.215 3.339 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.944 2.494 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.884 4.497 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.905 2.730 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.146 3.736 -1.108 1.00 0.00 H new ATOM 431 N PHE A 28 -10.028 0.760 0.399 1.00 0.00 N ATOM 432 CA PHE A 28 -10.827 -0.459 0.357 1.00 0.00 C ATOM 433 C PHE A 28 -11.524 -0.588 -0.990 1.00 0.00 C ATOM 434 O PHE A 28 -11.525 -1.652 -1.606 1.00 0.00 O ATOM 435 CB PHE A 28 -11.865 -0.417 1.479 1.00 0.00 C ATOM 436 CG PHE A 28 -12.504 -1.740 1.789 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.905 -2.614 2.681 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.704 -2.104 1.201 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.492 -3.828 2.982 1.00 0.00 C ATOM 440 CE2 PHE A 28 -14.296 -3.317 1.498 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.689 -4.179 2.391 1.00 0.00 C ATOM 0 H PHE A 28 -10.297 1.405 1.142 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.175 -1.322 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.388 -0.038 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.645 0.294 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.969 -2.344 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.182 -1.433 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.015 -4.501 3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.232 -3.591 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.151 -5.127 2.626 1.00 0.00 H new ATOM 451 N SER A 29 -12.105 0.516 -1.443 1.00 0.00 N ATOM 452 CA SER A 29 -12.798 0.558 -2.724 1.00 0.00 C ATOM 453 C SER A 29 -11.821 0.332 -3.875 1.00 0.00 C ATOM 454 O SER A 29 -12.161 -0.279 -4.889 1.00 0.00 O ATOM 455 CB SER A 29 -13.498 1.907 -2.892 1.00 0.00 C ATOM 456 OG SER A 29 -14.409 2.145 -1.833 1.00 0.00 O ATOM 0 H SER A 29 -12.109 1.401 -0.937 1.00 0.00 H new ATOM 0 HA SER A 29 -13.541 -0.239 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.755 2.704 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.029 1.929 -3.844 1.00 0.00 H new ATOM 0 HG SER A 29 -13.919 2.456 -1.044 1.00 0.00 H new ATOM 462 N MET A 30 -10.602 0.825 -3.702 1.00 0.00 N ATOM 463 CA MET A 30 -9.561 0.688 -4.716 1.00 0.00 C ATOM 464 C MET A 30 -9.039 -0.743 -4.776 1.00 0.00 C ATOM 465 O MET A 30 -8.455 -1.158 -5.777 1.00 0.00 O ATOM 466 CB MET A 30 -8.404 1.654 -4.437 1.00 0.00 C ATOM 467 CG MET A 30 -8.736 3.127 -4.660 1.00 0.00 C ATOM 468 SD MET A 30 -8.904 3.582 -6.404 1.00 0.00 S ATOM 469 CE MET A 30 -10.507 2.894 -6.815 1.00 0.00 C ATOM 0 H MET A 30 -10.307 1.327 -2.864 1.00 0.00 H new ATOM 0 HA MET A 30 -10.004 0.935 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.078 1.521 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.562 1.385 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.665 3.363 -4.141 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.955 3.738 -4.208 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.074 3.618 -7.400 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.373 1.982 -7.397 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.050 2.663 -5.898 1.00 0.00 H new ATOM 479 N GLY A 31 -9.262 -1.494 -3.707 1.00 0.00 N ATOM 480 CA GLY A 31 -8.805 -2.869 -3.664 1.00 0.00 C ATOM 481 C GLY A 31 -7.600 -3.041 -2.767 1.00 0.00 C ATOM 482 O GLY A 31 -6.970 -4.098 -2.750 1.00 0.00 O ATOM 0 H GLY A 31 -9.750 -1.177 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.614 -3.508 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.556 -3.199 -4.672 1.00 0.00 H new ATOM 486 N LEU A 32 -7.278 -2.000 -2.018 1.00 0.00 N ATOM 487 CA LEU A 32 -6.157 -2.043 -1.099 1.00 0.00 C ATOM 488 C LEU A 32 -6.666 -2.329 0.300 1.00 0.00 C ATOM 489 O LEU A 32 -7.146 -1.431 0.990 1.00 0.00 O ATOM 490 CB LEU A 32 -5.382 -0.723 -1.130 1.00 0.00 C ATOM 491 CG LEU A 32 -4.771 -0.364 -2.489 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.115 1.005 -2.437 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.761 -1.419 -2.913 1.00 0.00 C ATOM 0 H LEU A 32 -7.780 -1.112 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.476 -2.838 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.051 0.081 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.583 -0.770 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.573 -0.333 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.687 1.241 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.861 1.756 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.325 1.002 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.337 -1.149 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.965 -1.479 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.257 -2.386 -2.992 1.00 0.00 H new ATOM 505 N LEU A 33 -6.591 -3.586 0.695 1.00 0.00 N ATOM 506 CA LEU A 33 -7.112 -4.020 1.975 1.00 0.00 C ATOM 507 C LEU A 33 -6.221 -5.105 2.579 1.00 0.00 C ATOM 508 O LEU A 33 -5.426 -5.726 1.870 1.00 0.00 O ATOM 509 CB LEU A 33 -8.557 -4.517 1.796 1.00 0.00 C ATOM 510 CG LEU A 33 -8.813 -5.390 0.558 1.00 0.00 C ATOM 511 CD1 LEU A 33 -8.341 -6.818 0.781 1.00 0.00 C ATOM 512 CD2 LEU A 33 -10.286 -5.364 0.183 1.00 0.00 C ATOM 0 H LEU A 33 -6.169 -4.331 0.140 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.116 -3.179 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.839 -5.085 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.217 -3.650 1.749 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.237 -4.975 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.536 -7.410 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.271 -6.819 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.876 -7.250 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.449 -5.988 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.880 -5.746 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.587 -4.340 -0.038 1.00 0.00 H new ATOM 524 N PRO A 34 -6.325 -5.331 3.899 1.00 0.00 N ATOM 525 CA PRO A 34 -5.551 -6.368 4.583 1.00 0.00 C ATOM 526 C PRO A 34 -5.865 -7.755 4.039 1.00 0.00 C ATOM 527 O PRO A 34 -7.031 -8.113 3.861 1.00 0.00 O ATOM 528 CB PRO A 34 -5.991 -6.263 6.050 1.00 0.00 C ATOM 529 CG PRO A 34 -7.276 -5.509 6.020 1.00 0.00 C ATOM 530 CD PRO A 34 -7.199 -4.597 4.827 1.00 0.00 C ATOM 0 HA PRO A 34 -4.479 -6.227 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.124 -7.250 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.243 -5.743 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.124 -6.188 5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.414 -4.938 6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.183 -4.415 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.782 -3.625 5.089 1.00 0.00 H new ATOM 538 N GLY A 35 -4.827 -8.528 3.770 1.00 0.00 N ATOM 539 CA GLY A 35 -5.016 -9.863 3.242 1.00 0.00 C ATOM 540 C GLY A 35 -4.492 -10.002 1.831 1.00 0.00 C ATOM 541 O GLY A 35 -4.280 -11.113 1.345 1.00 0.00 O ATOM 0 H GLY A 35 -3.854 -8.255 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.510 -10.581 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.077 -10.111 3.259 1.00 0.00 H new ATOM 545 N ALA A 36 -4.280 -8.874 1.170 1.00 0.00 N ATOM 546 CA ALA A 36 -3.765 -8.873 -0.174 1.00 0.00 C ATOM 547 C ALA A 36 -2.253 -8.743 -0.159 1.00 0.00 C ATOM 548 O ALA A 36 -1.626 -8.671 0.903 1.00 0.00 O ATOM 549 CB ALA A 36 -4.392 -7.745 -0.982 1.00 0.00 C ATOM 0 H ALA A 36 -4.461 -7.946 1.553 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.025 -9.820 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.992 -7.758 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.473 -7.880 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.160 -6.789 -0.513 1.00 0.00 H new ATOM 555 N ALA A 37 -1.683 -8.695 -1.338 1.00 0.00 N ATOM 556 CA ALA A 37 -0.241 -8.616 -1.502 1.00 0.00 C ATOM 557 C ALA A 37 0.104 -7.846 -2.765 1.00 0.00 C ATOM 558 O ALA A 37 -0.674 -7.827 -3.720 1.00 0.00 O ATOM 559 CB ALA A 37 0.372 -10.010 -1.549 1.00 0.00 C ATOM 0 H ALA A 37 -2.201 -8.709 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 37 0.174 -8.087 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.452 -9.929 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.151 -10.536 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.048 -10.564 -2.388 1.00 0.00 H new ATOM 565 N LEU A 38 1.263 -7.209 -2.762 1.00 0.00 N ATOM 566 CA LEU A 38 1.714 -6.430 -3.903 1.00 0.00 C ATOM 567 C LEU A 38 3.129 -6.827 -4.297 1.00 0.00 C ATOM 568 O LEU A 38 3.992 -7.043 -3.445 1.00 0.00 O ATOM 569 CB LEU A 38 1.681 -4.932 -3.585 1.00 0.00 C ATOM 570 CG LEU A 38 0.318 -4.372 -3.172 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.456 -2.932 -2.703 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.665 -4.462 -4.330 1.00 0.00 C ATOM 0 H LEU A 38 1.913 -7.217 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 38 1.038 -6.635 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.393 -4.733 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.027 -4.385 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.066 -4.969 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.522 -2.548 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.130 -2.891 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.859 -2.323 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.630 -4.060 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.286 -3.886 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.784 -5.504 -4.626 1.00 0.00 H new ATOM 584 N ARG A 39 3.349 -6.931 -5.590 1.00 0.00 N ATOM 585 CA ARG A 39 4.665 -7.207 -6.135 1.00 0.00 C ATOM 586 C ARG A 39 5.307 -5.899 -6.575 1.00 0.00 C ATOM 587 O ARG A 39 4.791 -5.226 -7.462 1.00 0.00 O ATOM 588 CB ARG A 39 4.542 -8.169 -7.323 1.00 0.00 C ATOM 589 CG ARG A 39 5.808 -8.301 -8.160 1.00 0.00 C ATOM 590 CD ARG A 39 5.589 -9.195 -9.372 1.00 0.00 C ATOM 591 NE ARG A 39 5.503 -10.608 -9.010 1.00 0.00 N ATOM 592 CZ ARG A 39 4.874 -11.535 -9.732 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.178 -11.195 -10.811 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.926 -12.805 -9.355 1.00 0.00 N ATOM 0 H ARG A 39 2.620 -6.827 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 39 5.290 -7.674 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.264 -9.154 -6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.730 -7.831 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.131 -7.314 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.610 -8.710 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.672 -8.896 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.407 -9.052 -10.079 1.00 0.00 H new ATOM 0 HE ARG A 39 5.955 -10.905 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.121 -10.217 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.700 -11.912 -11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.445 -13.067 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.447 -13.520 -9.903 1.00 0.00 H new ATOM 608 N VAL A 40 6.407 -5.521 -5.941 1.00 0.00 N ATOM 609 CA VAL A 40 7.075 -4.269 -6.281 1.00 0.00 C ATOM 610 C VAL A 40 7.661 -4.346 -7.684 1.00 0.00 C ATOM 611 O VAL A 40 8.349 -5.303 -8.036 1.00 0.00 O ATOM 612 CB VAL A 40 8.183 -3.897 -5.260 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.416 -4.764 -5.408 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.545 -2.427 -5.376 1.00 0.00 C ATOM 0 H VAL A 40 6.854 -6.055 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 40 6.321 -3.483 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 40 7.778 -4.084 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.162 -4.465 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.148 -5.808 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.827 -4.644 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.323 -2.186 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.909 -2.220 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.663 -1.818 -5.177 1.00 0.00 H new ATOM 624 N VAL A 41 7.338 -3.362 -8.496 1.00 0.00 N ATOM 625 CA VAL A 41 7.863 -3.299 -9.839 1.00 0.00 C ATOM 626 C VAL A 41 9.045 -2.342 -9.898 1.00 0.00 C ATOM 627 O VAL A 41 10.134 -2.718 -10.331 1.00 0.00 O ATOM 628 CB VAL A 41 6.784 -2.856 -10.852 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.330 -2.872 -12.269 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.551 -3.741 -10.744 1.00 0.00 C ATOM 0 H VAL A 41 6.713 -2.595 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 41 8.192 -4.302 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 41 6.496 -1.833 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.551 -2.556 -12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.177 -2.190 -12.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.654 -3.881 -12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.803 -3.413 -11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.826 -4.775 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.139 -3.670 -9.737 1.00 0.00 H new ATOM 640 N ARG A 42 8.837 -1.109 -9.434 1.00 0.00 N ATOM 641 CA ARG A 42 9.859 -0.065 -9.563 1.00 0.00 C ATOM 642 C ARG A 42 9.679 1.047 -8.534 1.00 0.00 C ATOM 643 O ARG A 42 8.560 1.493 -8.277 1.00 0.00 O ATOM 644 CB ARG A 42 9.798 0.618 -10.940 1.00 0.00 C ATOM 645 CG ARG A 42 9.766 -0.304 -12.146 1.00 0.00 C ATOM 646 CD ARG A 42 9.498 0.487 -13.414 1.00 0.00 C ATOM 647 NE ARG A 42 9.110 -0.368 -14.530 1.00 0.00 N ATOM 648 CZ ARG A 42 8.140 -0.067 -15.391 1.00 0.00 C ATOM 649 NH1 ARG A 42 7.450 1.060 -15.254 1.00 0.00 N ATOM 650 NH2 ARG A 42 7.853 -0.900 -16.384 1.00 0.00 N ATOM 0 H ARG A 42 7.980 -0.809 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 42 10.809 -0.578 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.911 1.251 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.662 1.276 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.716 -0.831 -12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.993 -1.061 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.708 1.214 -13.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.392 1.049 -13.684 1.00 0.00 H new ATOM 0 HE ARG A 42 9.611 -1.247 -14.658 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.663 1.698 -14.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.708 1.287 -15.916 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.375 -1.770 -16.487 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.110 -0.670 -17.044 1.00 0.00 H new ATOM 664 N ILE A 43 10.786 1.498 -7.961 1.00 0.00 N ATOM 665 CA ILE A 43 10.846 2.824 -7.352 1.00 0.00 C ATOM 666 C ILE A 43 11.790 3.655 -8.209 1.00 0.00 C ATOM 667 O ILE A 43 13.003 3.426 -8.192 1.00 0.00 O ATOM 668 CB ILE A 43 11.367 2.843 -5.889 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.420 2.102 -4.939 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.564 4.286 -5.416 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.519 0.594 -5.021 1.00 0.00 C ATOM 0 H ILE A 43 11.655 0.968 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 43 9.829 3.213 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 43 12.325 2.324 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.631 2.414 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.395 2.401 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.929 4.286 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.290 4.784 -6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.613 4.817 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.817 0.145 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.278 0.268 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.533 0.282 -4.771 1.00 0.00 H new ATOM 683 N ALA A 44 11.238 4.583 -8.984 1.00 0.00 N ATOM 684 CA ALA A 44 12.023 5.352 -9.943 1.00 0.00 C ATOM 685 C ALA A 44 13.225 6.009 -9.277 1.00 0.00 C ATOM 686 O ALA A 44 13.083 6.694 -8.264 1.00 0.00 O ATOM 687 CB ALA A 44 11.166 6.409 -10.621 1.00 0.00 C ATOM 0 H ALA A 44 10.246 4.821 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 44 12.387 4.655 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.774 6.969 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.343 5.927 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.766 7.090 -9.870 1.00 0.00 H new ATOM 693 N PRO A 45 14.423 5.813 -9.858 1.00 0.00 N ATOM 694 CA PRO A 45 15.682 6.366 -9.330 1.00 0.00 C ATOM 695 C PRO A 45 15.682 7.894 -9.287 1.00 0.00 C ATOM 696 O PRO A 45 16.613 8.514 -8.777 1.00 0.00 O ATOM 697 CB PRO A 45 16.743 5.855 -10.310 1.00 0.00 C ATOM 698 CG PRO A 45 15.995 5.478 -11.540 1.00 0.00 C ATOM 699 CD PRO A 45 14.646 5.018 -11.078 1.00 0.00 C ATOM 0 HA PRO A 45 15.854 6.057 -8.299 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.485 6.624 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.279 5.000 -9.898 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.907 6.327 -12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.512 4.687 -12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.877 5.206 -11.828 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.634 3.948 -10.870 1.00 0.00 H new ATOM 707 N LEU A 46 14.630 8.486 -9.843 1.00 0.00 N ATOM 708 CA LEU A 46 14.396 9.921 -9.747 1.00 0.00 C ATOM 709 C LEU A 46 14.290 10.343 -8.290 1.00 0.00 C ATOM 710 O LEU A 46 14.706 11.433 -7.907 1.00 0.00 O ATOM 711 CB LEU A 46 13.095 10.292 -10.465 1.00 0.00 C ATOM 712 CG LEU A 46 13.197 10.470 -11.984 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.315 11.439 -12.339 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.406 9.130 -12.676 1.00 0.00 C ATOM 0 H LEU A 46 13.917 7.984 -10.372 1.00 0.00 H new ATOM 0 HA LEU A 46 15.235 10.435 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.355 9.519 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.716 11.219 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 46 12.256 10.890 -12.338 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.370 11.551 -13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.114 12.409 -11.884 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.263 11.053 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.475 9.284 -13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.328 8.674 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.565 8.472 -12.457 1.00 0.00 H new ATOM 726 N GLY A 47 13.726 9.458 -7.492 1.00 0.00 N ATOM 727 CA GLY A 47 13.476 9.744 -6.104 1.00 0.00 C ATOM 728 C GLY A 47 12.521 8.741 -5.543 1.00 0.00 C ATOM 729 O GLY A 47 12.937 7.818 -4.840 1.00 0.00 O ATOM 0 H GLY A 47 13.432 8.528 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.411 9.721 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.066 10.748 -5.999 1.00 0.00 H new ATOM 733 N ASP A 48 11.241 8.908 -5.882 1.00 0.00 N ATOM 734 CA ASP A 48 10.242 7.912 -5.549 1.00 0.00 C ATOM 735 C ASP A 48 8.852 8.216 -6.088 1.00 0.00 C ATOM 736 O ASP A 48 8.258 9.267 -5.825 1.00 0.00 O ATOM 737 CB ASP A 48 10.146 7.820 -4.032 1.00 0.00 C ATOM 738 CG ASP A 48 8.923 7.062 -3.547 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.867 7.712 -3.336 1.00 0.00 O ATOM 740 OD2 ASP A 48 9.012 5.836 -3.362 1.00 0.00 O ATOM 0 H ASP A 48 10.882 9.720 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 48 10.566 6.981 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.042 7.332 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.128 8.827 -3.615 1.00 0.00 H new ATOM 745 N PRO A 49 8.371 7.294 -6.914 1.00 0.00 N ATOM 746 CA PRO A 49 7.040 6.751 -6.883 1.00 0.00 C ATOM 747 C PRO A 49 7.113 5.270 -6.547 1.00 0.00 C ATOM 748 O PRO A 49 8.181 4.652 -6.622 1.00 0.00 O ATOM 749 CB PRO A 49 6.596 6.922 -8.330 1.00 0.00 C ATOM 750 CG PRO A 49 7.880 6.936 -9.130 1.00 0.00 C ATOM 751 CD PRO A 49 9.023 6.851 -8.133 1.00 0.00 C ATOM 0 HA PRO A 49 6.378 7.221 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.944 6.106 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.036 7.847 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.911 6.097 -9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.954 7.846 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.416 5.838 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.858 7.494 -8.410 1.00 0.00 H new ATOM 759 N ILE A 50 6.006 4.684 -6.211 1.00 0.00 N ATOM 760 CA ILE A 50 6.010 3.278 -5.887 1.00 0.00 C ATOM 761 C ILE A 50 5.157 2.515 -6.881 1.00 0.00 C ATOM 762 O ILE A 50 3.930 2.523 -6.806 1.00 0.00 O ATOM 763 CB ILE A 50 5.521 3.028 -4.447 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.342 3.874 -3.472 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.623 1.549 -4.092 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.838 3.827 -2.052 1.00 0.00 C ATOM 0 H ILE A 50 5.097 5.143 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 50 7.037 2.919 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 50 4.473 3.318 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.377 3.533 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.341 4.909 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.273 1.395 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.008 0.967 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.661 1.226 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.471 4.451 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.813 4.197 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.865 2.799 -1.690 1.00 0.00 H new ATOM 778 N GLN A 51 5.823 1.894 -7.834 1.00 0.00 N ATOM 779 CA GLN A 51 5.162 1.116 -8.855 1.00 0.00 C ATOM 780 C GLN A 51 5.087 -0.334 -8.415 1.00 0.00 C ATOM 781 O GLN A 51 6.113 -0.989 -8.237 1.00 0.00 O ATOM 782 CB GLN A 51 5.926 1.249 -10.169 1.00 0.00 C ATOM 783 CG GLN A 51 5.911 2.662 -10.734 1.00 0.00 C ATOM 784 CD GLN A 51 7.031 2.904 -11.725 1.00 0.00 C ATOM 785 OE1 GLN A 51 6.883 2.685 -12.927 1.00 0.00 O ATOM 786 NE2 GLN A 51 8.163 3.373 -11.224 1.00 0.00 N ATOM 0 H GLN A 51 6.839 1.917 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 51 4.147 1.484 -9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.959 0.938 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.495 0.567 -10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.953 2.844 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.994 3.378 -9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.246 3.541 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.952 3.566 -11.841 1.00 0.00 H new ATOM 795 N VAL A 52 3.875 -0.817 -8.213 1.00 0.00 N ATOM 796 CA VAL A 52 3.654 -2.172 -7.732 1.00 0.00 C ATOM 797 C VAL A 52 2.613 -2.877 -8.587 1.00 0.00 C ATOM 798 O VAL A 52 1.980 -2.257 -9.434 1.00 0.00 O ATOM 799 CB VAL A 52 3.194 -2.195 -6.259 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.309 -1.725 -5.336 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.947 -1.340 -6.067 1.00 0.00 C ATOM 0 H VAL A 52 3.019 -0.286 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 52 4.609 -2.693 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 52 2.947 -3.225 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.961 -1.750 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.172 -2.382 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.593 -0.706 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.642 -1.372 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.165 -0.310 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.142 -1.726 -6.692 1.00 0.00 H new ATOM 811 N GLU A 53 2.441 -4.164 -8.359 1.00 0.00 N ATOM 812 CA GLU A 53 1.488 -4.958 -9.109 1.00 0.00 C ATOM 813 C GLU A 53 0.701 -5.826 -8.137 1.00 0.00 C ATOM 814 O GLU A 53 1.279 -6.437 -7.240 1.00 0.00 O ATOM 815 CB GLU A 53 2.240 -5.808 -10.142 1.00 0.00 C ATOM 816 CG GLU A 53 1.393 -6.297 -11.309 1.00 0.00 C ATOM 817 CD GLU A 53 0.398 -7.363 -10.920 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.815 -8.522 -10.698 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.801 -7.047 -10.825 1.00 0.00 O ATOM 0 H GLU A 53 2.956 -4.687 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 53 0.788 -4.318 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.072 -5.224 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.669 -6.673 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.858 -5.451 -11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.049 -6.689 -12.086 1.00 0.00 H new ATOM 826 N THR A 54 -0.610 -5.855 -8.300 1.00 0.00 N ATOM 827 CA THR A 54 -1.474 -6.598 -7.395 1.00 0.00 C ATOM 828 C THR A 54 -1.533 -8.076 -7.781 1.00 0.00 C ATOM 829 O THR A 54 -0.937 -8.926 -7.116 1.00 0.00 O ATOM 830 CB THR A 54 -2.897 -6.004 -7.379 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.823 -4.583 -7.199 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.737 -6.615 -6.264 1.00 0.00 C ATOM 0 H THR A 54 -1.102 -5.372 -9.052 1.00 0.00 H new ATOM 0 HA THR A 54 -1.048 -6.516 -6.395 1.00 0.00 H new ATOM 0 HB THR A 54 -3.373 -6.234 -8.332 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.728 -4.207 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.735 -6.176 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.812 -7.692 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.266 -6.414 -5.302 1.00 0.00 H new ATOM 840 N ARG A 55 -2.231 -8.367 -8.871 1.00 0.00 N ATOM 841 CA ARG A 55 -2.376 -9.734 -9.362 1.00 0.00 C ATOM 842 C ARG A 55 -2.967 -9.708 -10.778 1.00 0.00 C ATOM 843 O ARG A 55 -3.537 -10.693 -11.249 1.00 0.00 O ATOM 844 CB ARG A 55 -3.270 -10.541 -8.401 1.00 0.00 C ATOM 845 CG ARG A 55 -3.113 -12.054 -8.511 1.00 0.00 C ATOM 846 CD ARG A 55 -4.294 -12.698 -9.221 1.00 0.00 C ATOM 847 NE ARG A 55 -5.551 -12.445 -8.518 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.684 -12.091 -9.117 1.00 0.00 C ATOM 849 NH1 ARG A 55 -6.749 -12.024 -10.442 1.00 0.00 N ATOM 850 NH2 ARG A 55 -7.760 -11.830 -8.388 1.00 0.00 N ATOM 0 H ARG A 55 -2.711 -7.668 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.400 -10.218 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.047 -10.239 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.312 -10.282 -8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.195 -12.285 -9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.012 -12.482 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.362 -12.312 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.130 -13.773 -9.298 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.559 -12.547 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.927 -12.245 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.621 -11.752 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.717 -11.901 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.631 -11.558 -8.844 1.00 0.00 H new ATOM 864 N GLN A 56 -2.783 -8.576 -11.459 1.00 0.00 N ATOM 865 CA GLN A 56 -3.363 -8.344 -12.784 1.00 0.00 C ATOM 866 C GLN A 56 -3.153 -6.893 -13.215 1.00 0.00 C ATOM 867 O GLN A 56 -3.034 -6.597 -14.405 1.00 0.00 O ATOM 868 CB GLN A 56 -4.862 -8.661 -12.788 1.00 0.00 C ATOM 869 CG GLN A 56 -5.507 -8.583 -14.161 1.00 0.00 C ATOM 870 CD GLN A 56 -6.948 -9.048 -14.151 1.00 0.00 C ATOM 871 OE1 GLN A 56 -7.774 -8.579 -14.932 1.00 0.00 O ATOM 872 NE2 GLN A 56 -7.256 -9.986 -13.269 1.00 0.00 N ATOM 0 H GLN A 56 -2.229 -7.795 -11.109 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.858 -9.007 -13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.012 -9.662 -12.384 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.371 -7.967 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.462 -7.556 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.937 -9.192 -14.862 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.540 -10.348 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.209 -10.346 -13.220 1.00 0.00 H new ATOM 881 N THR A 57 -3.096 -5.995 -12.242 1.00 0.00 N ATOM 882 CA THR A 57 -3.003 -4.572 -12.525 1.00 0.00 C ATOM 883 C THR A 57 -1.868 -3.922 -11.725 1.00 0.00 C ATOM 884 O THR A 57 -1.608 -4.292 -10.576 1.00 0.00 O ATOM 885 CB THR A 57 -4.342 -3.859 -12.216 1.00 0.00 C ATOM 886 OG1 THR A 57 -4.275 -2.481 -12.605 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.701 -3.959 -10.737 1.00 0.00 C ATOM 0 H THR A 57 -3.113 -6.228 -11.249 1.00 0.00 H new ATOM 0 HA THR A 57 -2.784 -4.463 -13.587 1.00 0.00 H new ATOM 0 HB THR A 57 -5.121 -4.360 -12.790 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.129 -2.043 -12.406 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.647 -3.448 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.796 -5.008 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.917 -3.493 -10.140 1.00 0.00 H new ATOM 895 N SER A 58 -1.199 -2.955 -12.340 1.00 0.00 N ATOM 896 CA SER A 58 -0.086 -2.272 -11.703 1.00 0.00 C ATOM 897 C SER A 58 -0.509 -0.893 -11.210 1.00 0.00 C ATOM 898 O SER A 58 -1.345 -0.221 -11.820 1.00 0.00 O ATOM 899 CB SER A 58 1.092 -2.157 -12.676 1.00 0.00 C ATOM 900 OG SER A 58 2.223 -1.556 -12.066 1.00 0.00 O ATOM 0 H SER A 58 -1.411 -2.627 -13.282 1.00 0.00 H new ATOM 0 HA SER A 58 0.230 -2.858 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.360 -3.149 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.791 -1.569 -13.543 1.00 0.00 H new ATOM 0 HG SER A 58 2.221 -1.754 -11.106 1.00 0.00 H new ATOM 906 N LEU A 59 0.076 -0.480 -10.098 1.00 0.00 N ATOM 907 CA LEU A 59 -0.245 0.798 -9.485 1.00 0.00 C ATOM 908 C LEU A 59 1.012 1.608 -9.215 1.00 0.00 C ATOM 909 O LEU A 59 2.125 1.085 -9.263 1.00 0.00 O ATOM 910 CB LEU A 59 -1.019 0.617 -8.170 1.00 0.00 C ATOM 911 CG LEU A 59 -2.513 0.302 -8.291 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.182 1.211 -9.309 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.740 -1.163 -8.634 1.00 0.00 C ATOM 0 H LEU A 59 0.783 -1.018 -9.597 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.875 1.335 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.546 -0.186 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.910 1.528 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.972 0.491 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.242 0.966 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.069 2.250 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.716 1.070 -10.284 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.810 -1.357 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.258 -1.393 -9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.315 -1.790 -7.850 1.00 0.00 H new ATOM 925 N ALA A 60 0.809 2.881 -8.912 1.00 0.00 N ATOM 926 CA ALA A 60 1.894 3.802 -8.605 1.00 0.00 C ATOM 927 C ALA A 60 1.412 4.859 -7.623 1.00 0.00 C ATOM 928 O ALA A 60 0.336 5.431 -7.798 1.00 0.00 O ATOM 929 CB ALA A 60 2.415 4.453 -9.878 1.00 0.00 C ATOM 0 H ALA A 60 -0.117 3.307 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 60 2.712 3.245 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.226 5.138 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.785 3.683 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.608 5.004 -10.361 1.00 0.00 H new ATOM 935 N LEU A 61 2.203 5.124 -6.595 1.00 0.00 N ATOM 936 CA LEU A 61 1.798 6.041 -5.546 1.00 0.00 C ATOM 937 C LEU A 61 3.026 6.687 -4.937 1.00 0.00 C ATOM 938 O LEU A 61 4.145 6.351 -5.307 1.00 0.00 O ATOM 939 CB LEU A 61 0.968 5.329 -4.460 1.00 0.00 C ATOM 940 CG LEU A 61 1.680 4.233 -3.659 1.00 0.00 C ATOM 941 CD1 LEU A 61 0.940 3.967 -2.358 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.779 2.947 -4.466 1.00 0.00 C ATOM 0 H LEU A 61 3.129 4.716 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 61 1.164 6.810 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.606 6.082 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.092 4.888 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 61 2.689 4.580 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.456 3.187 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.910 4.880 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.077 3.643 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.288 2.185 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.778 2.599 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.342 3.134 -5.380 1.00 0.00 H new ATOM 954 N ARG A 62 2.824 7.635 -4.044 1.00 0.00 N ATOM 955 CA ARG A 62 3.935 8.325 -3.422 1.00 0.00 C ATOM 956 C ARG A 62 4.149 7.854 -1.992 1.00 0.00 C ATOM 957 O ARG A 62 3.297 7.177 -1.415 1.00 0.00 O ATOM 958 CB ARG A 62 3.706 9.832 -3.439 1.00 0.00 C ATOM 959 CG ARG A 62 3.801 10.458 -4.823 1.00 0.00 C ATOM 960 CD ARG A 62 2.676 9.998 -5.740 1.00 0.00 C ATOM 961 NE ARG A 62 2.738 10.618 -7.065 1.00 0.00 N ATOM 962 CZ ARG A 62 2.266 10.048 -8.178 1.00 0.00 C ATOM 963 NH1 ARG A 62 1.681 8.856 -8.128 1.00 0.00 N ATOM 964 NH2 ARG A 62 2.380 10.672 -9.341 1.00 0.00 N ATOM 0 H ARG A 62 1.903 7.944 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 62 4.830 8.092 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.721 10.044 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.437 10.308 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.772 11.544 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.761 10.201 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.721 8.914 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.717 10.233 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 62 3.167 11.540 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.590 8.370 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.323 8.427 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.828 11.587 -9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.020 10.237 -10.191 1.00 0.00 H new ATOM 978 N ARG A 63 5.297 8.231 -1.441 1.00 0.00 N ATOM 979 CA ARG A 63 5.668 7.915 -0.050 1.00 0.00 C ATOM 980 C ARG A 63 4.519 8.133 0.937 1.00 0.00 C ATOM 981 O ARG A 63 4.140 7.216 1.665 1.00 0.00 O ATOM 982 CB ARG A 63 6.849 8.779 0.391 1.00 0.00 C ATOM 983 CG ARG A 63 8.174 8.432 -0.261 1.00 0.00 C ATOM 984 CD ARG A 63 8.854 9.675 -0.805 1.00 0.00 C ATOM 985 NE ARG A 63 8.288 10.078 -2.090 1.00 0.00 N ATOM 986 CZ ARG A 63 7.794 11.288 -2.357 1.00 0.00 C ATOM 987 NH1 ARG A 63 7.649 12.188 -1.388 1.00 0.00 N ATOM 988 NH2 ARG A 63 7.408 11.582 -3.593 1.00 0.00 N ATOM 0 H ARG A 63 6.006 8.767 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 63 5.932 6.857 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.617 9.822 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.959 8.693 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.825 7.946 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.010 7.719 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.750 10.490 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.921 9.486 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 63 8.269 9.384 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.916 11.955 -0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.270 13.111 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.490 10.884 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.029 12.506 -3.803 1.00 0.00 H new ATOM 1002 N LYS A 64 3.979 9.351 0.966 1.00 0.00 N ATOM 1003 CA LYS A 64 2.917 9.709 1.911 1.00 0.00 C ATOM 1004 C LYS A 64 1.727 8.767 1.783 1.00 0.00 C ATOM 1005 O LYS A 64 1.128 8.355 2.777 1.00 0.00 O ATOM 1006 CB LYS A 64 2.449 11.144 1.667 1.00 0.00 C ATOM 1007 CG LYS A 64 1.328 11.581 2.598 1.00 0.00 C ATOM 1008 CD LYS A 64 0.717 12.900 2.162 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.476 13.265 3.028 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.125 14.520 2.575 1.00 0.00 N ATOM 0 H LYS A 64 4.259 10.110 0.345 1.00 0.00 H new ATOM 0 HA LYS A 64 3.328 9.623 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.296 11.820 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.111 11.238 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.555 10.813 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.714 11.677 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.467 13.688 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.406 12.833 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.202 12.452 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.153 13.376 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.935 14.734 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.440 15.301 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.457 14.406 1.596 1.00 0.00 H new ATOM 1024 N ASP A 65 1.411 8.429 0.547 1.00 0.00 N ATOM 1025 CA ASP A 65 0.260 7.589 0.241 1.00 0.00 C ATOM 1026 C ASP A 65 0.520 6.156 0.693 1.00 0.00 C ATOM 1027 O ASP A 65 -0.397 5.438 1.084 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.013 7.643 -1.262 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.484 7.575 -1.607 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.295 8.205 -0.896 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -1.828 6.927 -2.620 1.00 0.00 O ATOM 0 H ASP A 65 1.940 8.726 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.616 7.957 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.406 8.564 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.505 6.817 -1.748 1.00 0.00 H new ATOM 1036 N LEU A 66 1.787 5.754 0.650 1.00 0.00 N ATOM 1037 CA LEU A 66 2.195 4.437 1.124 1.00 0.00 C ATOM 1038 C LEU A 66 2.041 4.349 2.632 1.00 0.00 C ATOM 1039 O LEU A 66 1.623 3.325 3.165 1.00 0.00 O ATOM 1040 CB LEU A 66 3.656 4.159 0.770 1.00 0.00 C ATOM 1041 CG LEU A 66 4.130 2.741 1.093 1.00 0.00 C ATOM 1042 CD1 LEU A 66 3.603 1.754 0.064 1.00 0.00 C ATOM 1043 CD2 LEU A 66 5.647 2.682 1.176 1.00 0.00 C ATOM 0 H LEU A 66 2.551 6.325 0.290 1.00 0.00 H new ATOM 0 HA LEU A 66 1.556 3.699 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.800 4.342 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.287 4.870 1.304 1.00 0.00 H new ATOM 0 HG LEU A 66 3.731 2.461 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.951 0.751 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.513 1.771 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.967 2.031 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.959 1.664 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.076 2.986 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.995 3.355 1.960 1.00 0.00 H new ATOM 1055 N ALA A 67 2.386 5.440 3.310 1.00 0.00 N ATOM 1056 CA ALA A 67 2.345 5.496 4.769 1.00 0.00 C ATOM 1057 C ALA A 67 0.924 5.340 5.304 1.00 0.00 C ATOM 1058 O ALA A 67 0.729 5.114 6.497 1.00 0.00 O ATOM 1059 CB ALA A 67 2.956 6.801 5.260 1.00 0.00 C ATOM 0 H ALA A 67 2.700 6.304 2.868 1.00 0.00 H new ATOM 0 HA ALA A 67 2.931 4.659 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.920 6.832 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.993 6.865 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.393 7.642 4.854 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.065 5.471 4.424 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.459 5.281 4.803 1.00 0.00 C ATOM 1067 C LEU A 68 -1.807 3.794 4.852 1.00 0.00 C ATOM 1068 O LEU A 68 -2.815 3.397 5.441 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.373 6.012 3.822 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.137 7.522 3.723 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.006 8.131 2.637 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.413 8.195 5.062 1.00 0.00 C ATOM 0 H LEU A 68 0.075 5.708 3.442 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.608 5.698 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.244 5.573 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.409 5.839 4.115 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.092 7.687 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.823 9.204 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.764 7.673 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.056 7.953 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.240 9.267 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.449 8.017 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.748 7.782 5.821 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.961 2.978 4.242 1.00 0.00 N ATOM 1085 CA LEU A 69 -1.127 1.533 4.270 1.00 0.00 C ATOM 1086 C LEU A 69 -0.053 0.903 5.140 1.00 0.00 C ATOM 1087 O LEU A 69 1.038 1.458 5.285 1.00 0.00 O ATOM 1088 CB LEU A 69 -1.032 0.955 2.856 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.215 1.254 1.938 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.892 0.841 0.512 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.460 0.528 2.427 1.00 0.00 C ATOM 0 H LEU A 69 -0.146 3.296 3.717 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.111 1.309 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.126 1.338 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.919 -0.126 2.932 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.407 2.327 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.744 1.060 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.021 1.394 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.679 -0.228 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.295 0.750 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.276 -0.546 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.701 0.859 3.437 1.00 0.00 H new ATOM 1103 N THR A 70 -0.357 -0.235 5.740 1.00 0.00 N ATOM 1104 CA THR A 70 0.658 -0.990 6.448 1.00 0.00 C ATOM 1105 C THR A 70 1.021 -2.240 5.660 1.00 0.00 C ATOM 1106 O THR A 70 0.200 -3.144 5.475 1.00 0.00 O ATOM 1107 CB THR A 70 0.210 -1.377 7.862 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.256 -0.215 8.557 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.354 -1.996 8.647 1.00 0.00 C ATOM 0 H THR A 70 -1.288 -0.652 5.751 1.00 0.00 H new ATOM 0 HA THR A 70 1.533 -0.348 6.545 1.00 0.00 H new ATOM 0 HB THR A 70 -0.593 -2.109 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.674 -0.485 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.008 -2.261 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.704 -2.892 8.135 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.172 -1.280 8.724 1.00 0.00 H new ATOM 1117 N LEU A 71 2.254 -2.271 5.195 1.00 0.00 N ATOM 1118 CA LEU A 71 2.735 -3.342 4.338 1.00 0.00 C ATOM 1119 C LEU A 71 3.947 -4.015 4.963 1.00 0.00 C ATOM 1120 O LEU A 71 4.828 -3.345 5.505 1.00 0.00 O ATOM 1121 CB LEU A 71 3.122 -2.791 2.959 1.00 0.00 C ATOM 1122 CG LEU A 71 2.045 -1.974 2.238 1.00 0.00 C ATOM 1123 CD1 LEU A 71 2.545 -1.518 0.878 1.00 0.00 C ATOM 1124 CD2 LEU A 71 0.772 -2.780 2.080 1.00 0.00 C ATOM 0 H LEU A 71 2.952 -1.556 5.399 1.00 0.00 H new ATOM 0 HA LEU A 71 1.933 -4.071 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.008 -2.166 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.403 -3.628 2.321 1.00 0.00 H new ATOM 0 HG LEU A 71 1.825 -1.096 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.767 -0.939 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.433 -0.899 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.794 -2.389 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.022 -2.179 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.980 -3.678 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.397 -3.064 3.063 1.00 0.00 H new ATOM 1136 N VAL A 72 3.986 -5.335 4.900 1.00 0.00 N ATOM 1137 CA VAL A 72 5.143 -6.086 5.360 1.00 0.00 C ATOM 1138 C VAL A 72 5.606 -7.043 4.268 1.00 0.00 C ATOM 1139 O VAL A 72 4.789 -7.673 3.605 1.00 0.00 O ATOM 1140 CB VAL A 72 4.845 -6.870 6.659 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.543 -5.913 7.800 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.691 -7.843 6.458 1.00 0.00 C ATOM 0 H VAL A 72 3.228 -5.911 4.534 1.00 0.00 H new ATOM 0 HA VAL A 72 5.935 -5.371 5.583 1.00 0.00 H new ATOM 0 HB VAL A 72 5.732 -7.448 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.336 -6.482 8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.402 -5.264 7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.674 -5.306 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.503 -8.381 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.796 -7.291 6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.947 -8.554 5.672 1.00 0.00 H new ATOM 1152 N PRO A 73 6.919 -7.147 4.038 1.00 0.00 N ATOM 1153 CA PRO A 73 7.459 -8.015 2.992 1.00 0.00 C ATOM 1154 C PRO A 73 7.256 -9.493 3.317 1.00 0.00 C ATOM 1155 O PRO A 73 6.979 -9.856 4.461 1.00 0.00 O ATOM 1156 CB PRO A 73 8.957 -7.675 2.964 1.00 0.00 C ATOM 1157 CG PRO A 73 9.108 -6.435 3.782 1.00 0.00 C ATOM 1158 CD PRO A 73 7.976 -6.442 4.766 1.00 0.00 C ATOM 0 HA PRO A 73 6.962 -7.854 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.551 -8.490 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.303 -7.514 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.070 -6.422 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.071 -5.546 3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.245 -6.957 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.673 -5.432 5.042 1.00 0.00 H new ATOM 1166 N LEU A 74 7.387 -10.341 2.308 1.00 0.00 N ATOM 1167 CA LEU A 74 7.322 -11.778 2.511 1.00 0.00 C ATOM 1168 C LEU A 74 8.649 -12.292 3.049 1.00 0.00 C ATOM 1169 O LEU A 74 8.695 -13.195 3.886 1.00 0.00 O ATOM 1170 CB LEU A 74 6.977 -12.483 1.199 1.00 0.00 C ATOM 1171 CG LEU A 74 5.587 -12.175 0.638 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.349 -12.955 -0.646 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.512 -12.500 1.667 1.00 0.00 C ATOM 0 H LEU A 74 7.539 -10.057 1.340 1.00 0.00 H new ATOM 0 HA LEU A 74 6.540 -11.993 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.722 -12.209 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.059 -13.559 1.351 1.00 0.00 H new ATOM 0 HG LEU A 74 5.534 -11.110 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.356 -12.725 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.100 -12.676 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.420 -14.023 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.530 -12.275 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.563 -13.558 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.673 -11.900 2.563 1.00 0.00 H new ATOM 1185 N ASP A 75 9.729 -11.707 2.563 1.00 0.00 N ATOM 1186 CA ASP A 75 11.062 -12.062 3.017 1.00 0.00 C ATOM 1187 C ASP A 75 11.699 -10.878 3.726 1.00 0.00 C ATOM 1188 O ASP A 75 11.953 -9.855 3.057 1.00 0.00 O ATOM 1189 CB ASP A 75 11.939 -12.508 1.845 1.00 0.00 C ATOM 1190 CG ASP A 75 13.321 -12.930 2.298 1.00 0.00 C ATOM 1191 OD1 ASP A 75 13.458 -14.060 2.808 1.00 0.00 O ATOM 1192 OD2 ASP A 75 14.276 -12.141 2.144 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.935 -10.971 4.947 1.00 0.00 O ATOM 0 H ASP A 75 9.708 -10.979 1.849 1.00 0.00 H new ATOM 0 HA ASP A 75 10.977 -12.896 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.458 -13.338 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.026 -11.693 1.127 1.00 0.00 H new TER 1198 ASP A 75