USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0099) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.339 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.399 X(o=0.4,f=-0.015) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0103) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 72:sc= 0.352 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.542 -18.098 -19.495 1.00 0.77 N ATOM 2 CA GLY A 1 131.286 -18.190 -18.699 1.00 0.81 C ATOM 3 C GLY A 1 130.954 -16.896 -17.979 1.00 0.65 C ATOM 4 O GLY A 1 130.691 -15.875 -18.619 1.00 0.70 O ATOM 0 H1 GLY A 1 132.722 -19.008 -19.966 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.445 -17.351 -20.212 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.337 -17.871 -18.864 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.461 -18.456 -19.359 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.381 -18.993 -17.969 1.00 0.81 H new ATOM 10 N SER A 2 130.967 -16.938 -16.647 1.00 0.55 N ATOM 11 CA SER A 2 130.666 -15.758 -15.836 1.00 0.48 C ATOM 12 C SER A 2 131.938 -15.025 -15.426 1.00 0.47 C ATOM 13 O SER A 2 131.913 -13.807 -15.255 1.00 0.71 O ATOM 14 CB SER A 2 129.860 -16.149 -14.595 1.00 0.54 C ATOM 15 OG SER A 2 128.551 -16.565 -14.945 1.00 0.67 O ATOM 0 H SER A 2 131.183 -17.776 -16.107 1.00 0.55 H new ATOM 0 HA SER A 2 130.068 -15.082 -16.447 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.371 -16.953 -14.065 1.00 0.54 H new ATOM 0 HB3 SER A 2 129.805 -15.301 -13.912 1.00 0.54 H new ATOM 0 HG SER A 2 128.058 -16.811 -14.134 1.00 0.67 H new ATOM 21 N LEU A 3 133.050 -15.760 -15.289 1.00 0.38 N ATOM 22 CA LEU A 3 134.333 -15.152 -14.926 1.00 0.43 C ATOM 23 C LEU A 3 134.858 -14.344 -16.112 1.00 0.53 C ATOM 24 O LEU A 3 135.822 -14.728 -16.776 1.00 0.88 O ATOM 25 CB LEU A 3 135.350 -16.225 -14.505 1.00 0.48 C ATOM 26 CG LEU A 3 135.525 -17.391 -15.486 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.976 -17.505 -15.930 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.055 -18.695 -14.856 1.00 1.42 C ATOM 0 H LEU A 3 133.085 -16.770 -15.424 1.00 0.38 H new ATOM 0 HA LEU A 3 134.186 -14.488 -14.074 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.318 -15.746 -14.361 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.047 -16.628 -13.539 1.00 0.48 H new ATOM 0 HG LEU A 3 134.912 -17.193 -16.365 1.00 0.85 H new ATOM 0 HD11 LEU A 3 137.079 -18.338 -16.625 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.279 -16.581 -16.423 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.610 -17.678 -15.060 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.187 -19.511 -15.567 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.640 -18.897 -13.959 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.001 -18.612 -14.591 1.00 1.42 H new ATOM 40 N THR A 4 134.174 -13.237 -16.388 1.00 0.41 N ATOM 41 CA THR A 4 134.500 -12.367 -17.506 1.00 0.49 C ATOM 42 C THR A 4 134.065 -10.928 -17.196 1.00 0.39 C ATOM 43 O THR A 4 133.930 -10.561 -16.032 1.00 0.39 O ATOM 44 CB THR A 4 133.822 -12.894 -18.787 1.00 0.65 C ATOM 45 OG1 THR A 4 132.658 -13.647 -18.480 1.00 0.64 O ATOM 46 CG2 THR A 4 134.731 -13.769 -19.624 1.00 0.80 C ATOM 0 H THR A 4 133.375 -12.920 -15.838 1.00 0.41 H new ATOM 0 HA THR A 4 135.578 -12.364 -17.666 1.00 0.49 H new ATOM 0 HB THR A 4 133.566 -12.003 -19.361 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.247 -13.968 -19.310 1.00 0.64 H new ATOM 0 HG21 THR A 4 134.195 -14.108 -20.511 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.608 -13.198 -19.927 1.00 0.80 H new ATOM 0 HG23 THR A 4 135.045 -14.633 -19.038 1.00 0.80 H new ATOM 54 N TYR A 5 133.871 -10.122 -18.241 1.00 0.48 N ATOM 55 CA TYR A 5 133.460 -8.718 -18.093 1.00 0.46 C ATOM 56 C TYR A 5 132.474 -8.530 -16.931 1.00 0.42 C ATOM 57 O TYR A 5 132.740 -7.767 -16.001 1.00 0.47 O ATOM 58 CB TYR A 5 132.833 -8.216 -19.398 1.00 0.59 C ATOM 59 CG TYR A 5 132.523 -6.730 -19.410 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.196 -5.846 -18.573 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.553 -6.214 -20.264 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.911 -4.495 -18.586 1.00 0.69 C ATOM 63 CE2 TYR A 5 131.265 -4.863 -20.282 1.00 0.90 C ATOM 64 CZ TYR A 5 131.946 -4.008 -19.441 1.00 0.65 C ATOM 65 OH TYR A 5 131.661 -2.663 -19.454 1.00 0.79 O ATOM 0 H TYR A 5 133.992 -10.418 -19.210 1.00 0.48 H new ATOM 0 HA TYR A 5 134.352 -8.134 -17.867 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.509 -8.441 -20.223 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.912 -8.769 -19.581 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.954 -6.223 -17.902 1.00 0.71 H new ATOM 0 HD2 TYR A 5 131.017 -6.880 -20.923 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.442 -3.823 -17.929 1.00 0.69 H new ATOM 0 HE2 TYR A 5 130.510 -4.478 -20.952 1.00 0.90 H new ATOM 0 HH TYR A 5 130.958 -2.484 -20.113 1.00 0.79 H new ATOM 75 N GLU A 6 131.335 -9.223 -16.994 1.00 0.48 N ATOM 76 CA GLU A 6 130.306 -9.130 -15.952 1.00 0.50 C ATOM 77 C GLU A 6 130.875 -9.390 -14.549 1.00 0.38 C ATOM 78 O GLU A 6 130.369 -8.851 -13.563 1.00 0.47 O ATOM 79 CB GLU A 6 129.173 -10.119 -16.241 1.00 0.60 C ATOM 80 CG GLU A 6 127.866 -9.761 -15.553 1.00 0.65 C ATOM 81 CD GLU A 6 126.855 -10.891 -15.595 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.921 -11.778 -14.718 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.998 -10.888 -16.504 1.00 1.16 O ATOM 0 H GLU A 6 131.100 -9.857 -17.758 1.00 0.48 H new ATOM 0 HA GLU A 6 129.921 -8.110 -15.969 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.007 -10.165 -17.317 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.481 -11.115 -15.923 1.00 0.60 H new ATOM 0 HG2 GLU A 6 128.067 -9.497 -14.515 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.439 -8.879 -16.029 1.00 0.65 H new ATOM 90 N GLU A 7 131.921 -10.214 -14.466 1.00 0.30 N ATOM 91 CA GLU A 7 132.551 -10.542 -13.185 1.00 0.29 C ATOM 92 C GLU A 7 133.423 -9.392 -12.678 1.00 0.28 C ATOM 93 O GLU A 7 133.257 -8.940 -11.543 1.00 0.46 O ATOM 94 CB GLU A 7 133.392 -11.814 -13.312 1.00 0.40 C ATOM 95 CG GLU A 7 133.528 -12.589 -12.012 1.00 0.56 C ATOM 96 CD GLU A 7 134.743 -12.169 -11.207 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.862 -12.609 -11.548 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.577 -11.400 -10.238 1.00 0.81 O ATOM 0 H GLU A 7 132.351 -10.667 -15.272 1.00 0.30 H new ATOM 0 HA GLU A 7 131.754 -10.709 -12.461 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.944 -12.462 -14.065 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.386 -11.547 -13.671 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.630 -12.443 -11.411 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.594 -13.654 -12.234 1.00 0.56 H new ATOM 105 N VAL A 8 134.357 -8.929 -13.518 1.00 0.34 N ATOM 106 CA VAL A 8 135.258 -7.834 -13.143 1.00 0.36 C ATOM 107 C VAL A 8 134.481 -6.616 -12.631 1.00 0.28 C ATOM 108 O VAL A 8 134.971 -5.880 -11.772 1.00 0.39 O ATOM 109 CB VAL A 8 136.182 -7.419 -14.315 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.382 -6.869 -15.486 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.224 -6.409 -13.849 1.00 0.77 C ATOM 0 H VAL A 8 134.508 -9.294 -14.458 1.00 0.34 H new ATOM 0 HA VAL A 8 135.884 -8.211 -12.334 1.00 0.36 H new ATOM 0 HB VAL A 8 136.701 -8.313 -14.661 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.061 -6.588 -16.291 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.691 -7.632 -15.845 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.820 -5.993 -15.163 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.862 -6.131 -14.688 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.723 -5.521 -13.464 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.833 -6.852 -13.061 1.00 0.77 H new ATOM 121 N LEU A 9 133.259 -6.424 -13.140 1.00 0.36 N ATOM 122 CA LEU A 9 132.416 -5.314 -12.705 1.00 0.49 C ATOM 123 C LEU A 9 132.121 -5.444 -11.211 1.00 0.53 C ATOM 124 O LEU A 9 132.423 -4.540 -10.431 1.00 0.73 O ATOM 125 CB LEU A 9 131.109 -5.284 -13.506 1.00 0.66 C ATOM 126 CG LEU A 9 131.204 -4.604 -14.874 1.00 0.65 C ATOM 127 CD1 LEU A 9 130.207 -5.218 -15.846 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.971 -3.105 -14.741 1.00 0.72 C ATOM 0 H LEU A 9 132.837 -7.022 -13.850 1.00 0.36 H new ATOM 0 HA LEU A 9 132.946 -4.379 -12.883 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.765 -6.308 -13.649 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.350 -4.772 -12.915 1.00 0.66 H new ATOM 0 HG LEU A 9 132.208 -4.762 -15.269 1.00 0.65 H new ATOM 0 HD11 LEU A 9 130.289 -4.722 -16.813 1.00 0.86 H new ATOM 0 HD12 LEU A 9 130.421 -6.280 -15.964 1.00 0.86 H new ATOM 0 HD13 LEU A 9 129.196 -5.092 -15.458 1.00 0.86 H new ATOM 0 HD21 LEU A 9 131.042 -2.637 -15.723 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.979 -2.926 -14.325 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.724 -2.677 -14.080 1.00 0.72 H new ATOM 140 N GLN A 10 131.525 -6.580 -10.828 1.00 0.42 N ATOM 141 CA GLN A 10 131.179 -6.855 -9.430 1.00 0.49 C ATOM 142 C GLN A 10 132.328 -6.502 -8.481 1.00 0.43 C ATOM 143 O GLN A 10 132.097 -5.965 -7.399 1.00 0.50 O ATOM 144 CB GLN A 10 130.801 -8.328 -9.253 1.00 0.60 C ATOM 145 CG GLN A 10 129.312 -8.599 -9.408 1.00 0.69 C ATOM 146 CD GLN A 10 128.549 -8.422 -8.107 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.493 -7.324 -7.552 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.957 -9.505 -7.611 1.00 0.84 N ATOM 0 H GLN A 10 131.271 -7.328 -11.473 1.00 0.42 H new ATOM 0 HA GLN A 10 130.325 -6.226 -9.178 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.348 -8.925 -9.983 1.00 0.60 H new ATOM 0 HB3 GLN A 10 131.121 -8.660 -8.265 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.900 -7.927 -10.161 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.167 -9.615 -9.775 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.028 -10.396 -8.103 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.432 -9.445 -6.739 1.00 0.84 H new ATOM 157 N GLU A 11 133.562 -6.803 -8.892 1.00 0.41 N ATOM 158 CA GLU A 11 134.739 -6.506 -8.073 1.00 0.44 C ATOM 159 C GLU A 11 134.849 -5.002 -7.816 1.00 0.40 C ATOM 160 O GLU A 11 135.014 -4.571 -6.674 1.00 0.56 O ATOM 161 CB GLU A 11 136.009 -7.020 -8.756 1.00 0.52 C ATOM 162 CG GLU A 11 136.176 -8.529 -8.669 1.00 0.63 C ATOM 163 CD GLU A 11 137.240 -9.056 -9.613 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.431 -9.032 -9.238 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.883 -9.496 -10.726 1.00 1.64 O ATOM 0 H GLU A 11 133.772 -7.251 -9.784 1.00 0.41 H new ATOM 0 HA GLU A 11 134.627 -7.014 -7.115 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.993 -6.724 -9.805 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.876 -6.540 -8.302 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.435 -8.803 -7.646 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.224 -9.009 -8.896 1.00 0.63 H new ATOM 172 N LEU A 12 134.755 -4.217 -8.891 1.00 0.34 N ATOM 173 CA LEU A 12 134.836 -2.754 -8.806 1.00 0.34 C ATOM 174 C LEU A 12 133.961 -2.209 -7.670 1.00 0.31 C ATOM 175 O LEU A 12 134.428 -1.410 -6.858 1.00 0.39 O ATOM 176 CB LEU A 12 134.422 -2.119 -10.140 1.00 0.36 C ATOM 177 CG LEU A 12 135.311 -0.968 -10.625 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.234 0.211 -9.666 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.751 -1.434 -10.792 1.00 0.59 C ATOM 0 H LEU A 12 134.622 -4.572 -9.838 1.00 0.34 H new ATOM 0 HA LEU A 12 135.871 -2.491 -8.590 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.413 -2.895 -10.905 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.400 -1.752 -10.046 1.00 0.36 H new ATOM 0 HG LEU A 12 134.945 -0.640 -11.598 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.872 1.017 -10.028 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.204 0.563 -9.604 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.570 -0.102 -8.677 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.365 -0.602 -11.137 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.131 -1.793 -9.835 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.790 -2.241 -11.524 1.00 0.59 H new ATOM 191 N VAL A 13 132.699 -2.654 -7.607 1.00 0.26 N ATOM 192 CA VAL A 13 131.781 -2.208 -6.554 1.00 0.26 C ATOM 193 C VAL A 13 132.160 -2.819 -5.198 1.00 0.22 C ATOM 194 O VAL A 13 131.986 -2.186 -4.156 1.00 0.24 O ATOM 195 CB VAL A 13 130.305 -2.542 -6.892 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.954 -3.981 -6.535 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.367 -1.571 -6.189 1.00 0.53 C ATOM 0 H VAL A 13 132.294 -3.317 -8.268 1.00 0.26 H new ATOM 0 HA VAL A 13 131.874 -1.124 -6.492 1.00 0.26 H new ATOM 0 HB VAL A 13 130.181 -2.435 -7.970 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.911 -4.175 -6.787 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.595 -4.662 -7.095 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.104 -4.138 -5.467 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.335 -1.819 -6.436 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.509 -1.644 -5.111 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.584 -0.554 -6.516 1.00 0.53 H new ATOM 207 N LYS A 14 132.697 -4.044 -5.230 1.00 0.24 N ATOM 208 CA LYS A 14 133.124 -4.730 -4.011 1.00 0.23 C ATOM 209 C LYS A 14 134.177 -3.886 -3.295 1.00 0.21 C ATOM 210 O LYS A 14 133.983 -3.470 -2.154 1.00 0.28 O ATOM 211 CB LYS A 14 133.683 -6.120 -4.333 1.00 0.30 C ATOM 212 CG LYS A 14 133.444 -7.140 -3.231 1.00 0.84 C ATOM 213 CD LYS A 14 133.642 -8.563 -3.729 1.00 0.68 C ATOM 214 CE LYS A 14 133.530 -9.571 -2.594 1.00 0.73 C ATOM 215 NZ LYS A 14 133.050 -10.902 -3.065 1.00 0.75 N ATOM 0 H LYS A 14 132.845 -4.578 -6.087 1.00 0.24 H new ATOM 0 HA LYS A 14 132.260 -4.860 -3.359 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.229 -6.481 -5.256 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.754 -6.039 -4.516 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.125 -6.946 -2.402 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.431 -7.027 -2.844 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.898 -8.789 -4.493 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.621 -8.652 -4.201 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.503 -9.686 -2.116 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.846 -9.188 -1.837 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.990 -11.555 -2.258 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.110 -10.799 -3.498 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.715 -11.282 -3.768 1.00 0.75 H new ATOM 229 N HIS A 15 135.282 -3.619 -3.994 1.00 0.25 N ATOM 230 CA HIS A 15 136.369 -2.800 -3.457 1.00 0.27 C ATOM 231 C HIS A 15 135.857 -1.402 -3.094 1.00 0.23 C ATOM 232 O HIS A 15 136.220 -0.846 -2.057 1.00 0.43 O ATOM 233 CB HIS A 15 137.493 -2.687 -4.493 1.00 0.33 C ATOM 234 CG HIS A 15 138.239 -3.967 -4.718 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.264 -4.399 -3.901 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.105 -4.912 -5.679 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.727 -5.552 -4.351 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.040 -5.884 -5.428 1.00 0.72 N ATOM 0 H HIS A 15 135.447 -3.961 -4.940 1.00 0.25 H new ATOM 0 HA HIS A 15 136.754 -3.277 -2.555 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.069 -2.353 -5.440 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.196 -1.919 -4.170 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.394 -4.902 -6.492 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.531 -6.125 -3.912 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.181 -6.727 -5.984 1.00 0.72 H new ATOM 247 N LYS A 16 135.012 -0.851 -3.971 1.00 0.21 N ATOM 248 CA LYS A 16 134.440 0.482 -3.763 1.00 0.25 C ATOM 249 C LYS A 16 133.769 0.574 -2.390 1.00 0.32 C ATOM 250 O LYS A 16 134.171 1.383 -1.551 1.00 0.62 O ATOM 251 CB LYS A 16 133.432 0.816 -4.867 1.00 0.37 C ATOM 252 CG LYS A 16 133.783 2.069 -5.654 1.00 0.50 C ATOM 253 CD LYS A 16 133.390 1.938 -7.117 1.00 0.57 C ATOM 254 CE LYS A 16 132.885 3.258 -7.681 1.00 0.59 C ATOM 255 NZ LYS A 16 131.509 3.578 -7.205 1.00 0.66 N ATOM 0 H LYS A 16 134.709 -1.308 -4.831 1.00 0.21 H new ATOM 0 HA LYS A 16 135.252 1.208 -3.802 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.366 -0.028 -5.554 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.446 0.942 -4.421 1.00 0.37 H new ATOM 0 HG2 LYS A 16 133.276 2.929 -5.216 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.854 2.258 -5.580 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.249 1.599 -7.696 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.616 1.178 -7.220 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.564 4.060 -7.392 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.891 3.213 -8.770 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.163 4.431 -7.690 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.875 2.780 -7.413 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.527 3.747 -6.179 1.00 0.66 H new ATOM 269 N GLU A 17 132.744 -0.254 -2.168 1.00 0.32 N ATOM 270 CA GLU A 17 132.019 -0.260 -0.897 1.00 0.39 C ATOM 271 C GLU A 17 132.927 -0.684 0.262 1.00 0.32 C ATOM 272 O GLU A 17 132.777 -0.193 1.382 1.00 0.40 O ATOM 273 CB GLU A 17 130.773 -1.163 -0.999 1.00 0.51 C ATOM 274 CG GLU A 17 130.818 -2.442 -0.163 1.00 0.80 C ATOM 275 CD GLU A 17 130.987 -3.696 -1.005 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.257 -3.846 -2.009 1.00 1.43 O ATOM 277 OE2 GLU A 17 131.848 -4.531 -0.656 1.00 1.47 O ATOM 0 H GLU A 17 132.399 -0.928 -2.852 1.00 0.32 H new ATOM 0 HA GLU A 17 131.687 0.757 -0.686 1.00 0.39 H new ATOM 0 HB2 GLU A 17 129.900 -0.584 -0.698 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.629 -1.437 -2.044 1.00 0.51 H new ATOM 0 HG2 GLU A 17 131.641 -2.375 0.549 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.899 -2.522 0.418 1.00 0.80 H new ATOM 284 N LEU A 18 133.870 -1.593 -0.011 1.00 0.32 N ATOM 285 CA LEU A 18 134.800 -2.071 1.015 1.00 0.34 C ATOM 286 C LEU A 18 135.672 -0.932 1.550 1.00 0.33 C ATOM 287 O LEU A 18 136.011 -0.909 2.734 1.00 0.66 O ATOM 288 CB LEU A 18 135.684 -3.191 0.458 1.00 0.53 C ATOM 289 CG LEU A 18 135.109 -4.603 0.597 1.00 0.67 C ATOM 290 CD1 LEU A 18 135.860 -5.578 -0.298 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.159 -5.060 2.049 1.00 0.79 C ATOM 0 H LEU A 18 134.008 -2.011 -0.931 1.00 0.32 H new ATOM 0 HA LEU A 18 134.208 -2.463 1.842 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.871 -2.994 -0.598 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.649 -3.157 0.964 1.00 0.53 H new ATOM 0 HG LEU A 18 134.066 -4.582 0.280 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.436 -6.576 -0.185 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.770 -5.261 -1.337 1.00 0.86 H new ATOM 0 HD13 LEU A 18 136.912 -5.596 -0.014 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.746 -6.066 2.128 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.193 -5.064 2.394 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.574 -4.378 2.666 1.00 0.79 H new ATOM 303 N LEU A 19 136.019 0.018 0.675 1.00 0.43 N ATOM 304 CA LEU A 19 136.837 1.168 1.064 1.00 0.44 C ATOM 305 C LEU A 19 135.994 2.217 1.796 1.00 0.30 C ATOM 306 O LEU A 19 136.518 3.003 2.588 1.00 0.45 O ATOM 307 CB LEU A 19 137.501 1.794 -0.166 1.00 0.57 C ATOM 308 CG LEU A 19 139.006 1.538 -0.292 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.468 1.762 -1.725 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.782 2.429 0.668 1.00 0.94 C ATOM 0 H LEU A 19 135.745 0.012 -0.308 1.00 0.43 H new ATOM 0 HA LEU A 19 137.613 0.814 1.743 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.007 1.413 -1.060 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.332 2.871 -0.143 1.00 0.57 H new ATOM 0 HG LEU A 19 139.202 0.499 -0.028 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.540 1.575 -1.795 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.937 1.080 -2.389 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.259 2.791 -2.018 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.849 2.233 0.564 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.581 3.475 0.437 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.472 2.218 1.691 1.00 0.94 H new ATOM 322 N ARG A 20 134.683 2.203 1.541 1.00 0.32 N ATOM 323 CA ARG A 20 133.763 3.132 2.190 1.00 0.50 C ATOM 324 C ARG A 20 133.507 2.684 3.627 1.00 0.40 C ATOM 325 O ARG A 20 133.761 3.433 4.572 1.00 0.47 O ATOM 326 CB ARG A 20 132.446 3.218 1.412 1.00 0.78 C ATOM 327 CG ARG A 20 132.424 4.333 0.378 1.00 0.89 C ATOM 328 CD ARG A 20 131.066 4.443 -0.297 1.00 0.98 C ATOM 329 NE ARG A 20 131.071 5.420 -1.387 1.00 1.06 N ATOM 330 CZ ARG A 20 129.969 5.969 -1.906 1.00 1.17 C ATOM 331 NH1 ARG A 20 128.765 5.639 -1.443 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.073 6.852 -2.894 1.00 1.60 N ATOM 0 H ARG A 20 134.238 1.557 0.889 1.00 0.32 H new ATOM 0 HA ARG A 20 134.214 4.124 2.203 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.266 2.266 0.912 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.627 3.369 2.115 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.670 5.280 0.858 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.191 4.148 -0.374 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.775 3.467 -0.686 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.317 4.728 0.441 1.00 0.98 H new ATOM 0 HE ARG A 20 131.972 5.699 -1.775 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.678 4.962 -0.685 1.00 1.74 H new ATOM 0 HH12 ARG A 20 127.930 6.064 -1.846 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.992 7.109 -3.254 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.234 7.273 -3.292 1.00 1.60 H new ATOM 346 N ARG A 21 133.012 1.452 3.777 1.00 0.36 N ATOM 347 CA ARG A 21 132.728 0.882 5.093 1.00 0.37 C ATOM 348 C ARG A 21 133.947 0.992 6.010 1.00 0.35 C ATOM 349 O ARG A 21 133.826 1.415 7.159 1.00 0.49 O ATOM 350 CB ARG A 21 132.303 -0.583 4.959 1.00 0.47 C ATOM 351 CG ARG A 21 131.143 -0.968 5.865 1.00 0.71 C ATOM 352 CD ARG A 21 131.338 -2.351 6.468 1.00 0.94 C ATOM 353 NE ARG A 21 131.498 -3.382 5.441 1.00 0.95 N ATOM 354 CZ ARG A 21 132.280 -4.458 5.571 1.00 1.19 C ATOM 355 NH1 ARG A 21 132.965 -4.669 6.693 1.00 2.03 N ATOM 356 NH2 ARG A 21 132.372 -5.331 4.573 1.00 1.50 N ATOM 0 H ARG A 21 132.799 0.829 2.998 1.00 0.36 H new ATOM 0 HA ARG A 21 131.910 1.449 5.538 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.024 -0.778 3.924 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.157 -1.222 5.185 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.045 -0.233 6.664 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.214 -0.946 5.296 1.00 0.71 H new ATOM 0 HD2 ARG A 21 132.216 -2.344 7.114 1.00 0.94 H new ATOM 0 HD3 ARG A 21 130.482 -2.596 7.097 1.00 0.94 H new ATOM 0 HE ARG A 21 130.979 -3.272 4.570 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.896 -4.006 7.465 1.00 2.03 H new ATOM 0 HH12 ARG A 21 133.559 -5.494 6.781 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.847 -5.178 3.712 1.00 1.50 H new ATOM 0 HH22 ARG A 21 132.968 -6.153 4.668 1.00 1.50 H new ATOM 370 N LYS A 22 135.117 0.598 5.493 1.00 0.33 N ATOM 371 CA LYS A 22 136.370 0.644 6.256 1.00 0.41 C ATOM 372 C LYS A 22 136.529 1.969 7.006 1.00 0.34 C ATOM 373 O LYS A 22 136.894 1.980 8.183 1.00 0.36 O ATOM 374 CB LYS A 22 137.565 0.432 5.320 1.00 0.56 C ATOM 375 CG LYS A 22 138.680 -0.403 5.931 1.00 0.77 C ATOM 376 CD LYS A 22 139.808 -0.642 4.937 1.00 0.95 C ATOM 377 CE LYS A 22 140.736 0.559 4.841 1.00 0.76 C ATOM 378 NZ LYS A 22 141.818 0.511 5.864 1.00 0.71 N ATOM 0 H LYS A 22 135.222 0.242 4.543 1.00 0.33 H new ATOM 0 HA LYS A 22 136.336 -0.158 6.994 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.219 -0.053 4.407 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.967 1.404 5.032 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.072 0.102 6.813 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.278 -1.360 6.264 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.379 -1.520 5.239 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.388 -0.857 3.954 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.179 0.596 3.846 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.158 1.475 4.967 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.428 1.347 5.764 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.397 0.502 6.815 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.386 -0.350 5.728 1.00 0.71 H new ATOM 392 N ASP A 23 136.244 3.082 6.324 1.00 0.34 N ATOM 393 CA ASP A 23 136.349 4.406 6.937 1.00 0.32 C ATOM 394 C ASP A 23 135.180 4.658 7.889 1.00 0.29 C ATOM 395 O ASP A 23 135.345 5.289 8.932 1.00 0.34 O ATOM 396 CB ASP A 23 136.394 5.495 5.862 1.00 0.37 C ATOM 397 CG ASP A 23 137.376 6.600 6.202 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.052 7.437 7.070 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.471 6.626 5.601 1.00 1.17 O ATOM 0 H ASP A 23 135.940 3.091 5.350 1.00 0.34 H new ATOM 0 HA ASP A 23 137.276 4.439 7.509 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.670 5.048 4.907 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.399 5.922 5.739 1.00 0.37 H new ATOM 404 N THR A 24 134.000 4.154 7.523 1.00 0.27 N ATOM 405 CA THR A 24 132.802 4.314 8.345 1.00 0.28 C ATOM 406 C THR A 24 132.955 3.594 9.690 1.00 0.27 C ATOM 407 O THR A 24 132.338 3.989 10.679 1.00 0.32 O ATOM 408 CB THR A 24 131.570 3.782 7.602 1.00 0.31 C ATOM 409 OG1 THR A 24 131.453 4.388 6.327 1.00 0.52 O ATOM 410 CG2 THR A 24 130.270 4.019 8.341 1.00 0.53 C ATOM 0 H THR A 24 133.850 3.631 6.660 1.00 0.27 H new ATOM 0 HA THR A 24 132.668 5.378 8.540 1.00 0.28 H new ATOM 0 HB THR A 24 131.729 2.707 7.518 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.153 4.042 5.735 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.441 3.617 7.758 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.306 3.521 9.310 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.125 5.089 8.488 1.00 0.53 H new ATOM 418 N HIS A 25 133.783 2.542 9.721 1.00 0.27 N ATOM 419 CA HIS A 25 134.014 1.777 10.949 1.00 0.31 C ATOM 420 C HIS A 25 134.864 2.574 11.934 1.00 0.33 C ATOM 421 O HIS A 25 134.469 2.766 13.083 1.00 0.43 O ATOM 422 CB HIS A 25 134.685 0.437 10.633 1.00 0.37 C ATOM 423 CG HIS A 25 134.141 -0.706 11.433 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.130 -0.723 12.813 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.583 -1.875 11.040 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.590 -1.853 13.232 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.249 -2.568 12.177 1.00 0.75 N ATOM 0 H HIS A 25 134.302 2.203 8.911 1.00 0.27 H new ATOM 0 HA HIS A 25 133.046 1.581 11.410 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.562 0.219 9.572 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.756 0.523 10.818 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.429 -2.202 10.022 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.451 -2.143 14.263 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.808 -3.488 12.202 1.00 0.75 H new ATOM 436 N ILE A 26 136.022 3.058 11.479 1.00 0.31 N ATOM 437 CA ILE A 26 136.895 3.862 12.337 1.00 0.35 C ATOM 438 C ILE A 26 136.200 5.172 12.726 1.00 0.34 C ATOM 439 O ILE A 26 136.523 5.779 13.748 1.00 0.46 O ATOM 440 CB ILE A 26 138.255 4.176 11.664 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.058 4.726 10.247 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.129 2.930 11.634 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.434 6.185 10.104 1.00 0.68 C ATOM 0 H ILE A 26 136.374 2.910 10.533 1.00 0.31 H new ATOM 0 HA ILE A 26 137.095 3.270 13.230 1.00 0.35 H new ATOM 0 HB ILE A 26 138.756 4.943 12.255 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.655 4.136 9.551 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.014 4.599 9.959 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.081 3.165 11.159 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.307 2.586 12.653 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.625 2.146 11.069 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.268 6.504 9.075 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.820 6.786 10.774 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.485 6.317 10.360 1.00 0.68 H new ATOM 455 N ARG A 27 135.227 5.584 11.903 1.00 0.29 N ATOM 456 CA ARG A 27 134.460 6.799 12.150 1.00 0.35 C ATOM 457 C ARG A 27 133.363 6.545 13.187 1.00 0.34 C ATOM 458 O ARG A 27 133.183 7.339 14.113 1.00 0.39 O ATOM 459 CB ARG A 27 133.842 7.316 10.847 1.00 0.44 C ATOM 460 CG ARG A 27 133.344 8.752 10.932 1.00 0.52 C ATOM 461 CD ARG A 27 131.906 8.875 10.451 1.00 0.81 C ATOM 462 NE ARG A 27 130.945 8.433 11.464 1.00 0.91 N ATOM 463 CZ ARG A 27 129.656 8.781 11.476 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.160 9.577 10.532 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.858 8.330 12.438 1.00 1.68 N ATOM 0 H ARG A 27 134.955 5.085 11.056 1.00 0.29 H new ATOM 0 HA ARG A 27 135.139 7.556 12.542 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.583 7.245 10.051 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.011 6.669 10.568 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.415 9.102 11.962 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.986 9.397 10.331 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.701 9.912 10.186 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.775 8.282 9.545 1.00 0.81 H new ATOM 0 HE ARG A 27 131.282 7.821 12.207 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.766 9.927 9.790 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.174 9.837 10.550 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.231 7.719 13.165 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.873 8.594 12.449 1.00 1.68 H new ATOM 479 N GLU A 28 132.632 5.435 13.028 1.00 0.33 N ATOM 480 CA GLU A 28 131.556 5.087 13.958 1.00 0.38 C ATOM 481 C GLU A 28 132.116 4.657 15.315 1.00 0.37 C ATOM 482 O GLU A 28 131.582 5.036 16.358 1.00 0.47 O ATOM 483 CB GLU A 28 130.646 3.992 13.377 1.00 0.48 C ATOM 484 CG GLU A 28 131.351 2.679 13.065 1.00 0.81 C ATOM 485 CD GLU A 28 131.245 1.663 14.189 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.115 1.402 14.654 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.294 1.125 14.602 1.00 1.85 O ATOM 0 H GLU A 28 132.766 4.768 12.268 1.00 0.33 H new ATOM 0 HA GLU A 28 130.953 5.982 14.107 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.839 3.797 14.083 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.186 4.368 12.463 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.926 2.252 12.157 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.403 2.878 12.861 1.00 0.81 H new ATOM 494 N LEU A 29 133.193 3.867 15.296 1.00 0.34 N ATOM 495 CA LEU A 29 133.824 3.390 16.527 1.00 0.38 C ATOM 496 C LEU A 29 134.409 4.547 17.343 1.00 0.42 C ATOM 497 O LEU A 29 134.543 4.443 18.563 1.00 0.80 O ATOM 498 CB LEU A 29 134.922 2.372 16.200 1.00 0.48 C ATOM 499 CG LEU A 29 135.135 1.281 17.254 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.858 -0.095 16.665 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.549 1.350 17.816 1.00 0.58 C ATOM 0 H LEU A 29 133.646 3.545 14.441 1.00 0.34 H new ATOM 0 HA LEU A 29 133.054 2.909 17.130 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.682 1.895 15.250 1.00 0.48 H new ATOM 0 HB3 LEU A 29 135.861 2.907 16.059 1.00 0.48 H new ATOM 0 HG LEU A 29 134.433 1.450 18.070 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.015 -0.856 17.429 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.827 -0.140 16.314 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.534 -0.276 15.829 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.682 0.568 18.563 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.268 1.208 17.010 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.710 2.324 18.278 1.00 0.58 H new ATOM 513 N GLU A 30 134.749 5.650 16.665 1.00 0.42 N ATOM 514 CA GLU A 30 135.312 6.824 17.334 1.00 0.46 C ATOM 515 C GLU A 30 134.293 7.465 18.282 1.00 0.46 C ATOM 516 O GLU A 30 134.670 8.121 19.255 1.00 0.61 O ATOM 517 CB GLU A 30 135.790 7.851 16.303 1.00 0.51 C ATOM 518 CG GLU A 30 137.304 7.975 16.228 1.00 0.57 C ATOM 519 CD GLU A 30 137.896 8.648 17.452 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.164 7.941 18.448 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.091 9.881 17.417 1.00 1.24 O ATOM 0 H GLU A 30 134.643 5.752 15.656 1.00 0.42 H new ATOM 0 HA GLU A 30 136.165 6.492 17.926 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.407 7.574 15.321 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.365 8.825 16.548 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.741 6.983 16.117 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.575 8.544 15.339 1.00 0.57 H new ATOM 528 N ASP A 31 133.001 7.253 18.004 1.00 0.43 N ATOM 529 CA ASP A 31 131.932 7.793 18.842 1.00 0.58 C ATOM 530 C ASP A 31 131.888 7.061 20.183 1.00 0.59 C ATOM 531 O ASP A 31 131.749 7.686 21.236 1.00 0.78 O ATOM 532 CB ASP A 31 130.579 7.670 18.133 1.00 0.71 C ATOM 533 CG ASP A 31 129.923 9.018 17.900 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.263 9.525 18.831 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.072 9.566 16.787 1.00 1.73 O ATOM 0 H ASP A 31 132.674 6.711 17.204 1.00 0.43 H new ATOM 0 HA ASP A 31 132.137 8.848 19.022 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.718 7.166 17.176 1.00 0.71 H new ATOM 0 HB3 ASP A 31 129.915 7.044 18.729 1.00 0.71 H new ATOM 540 N TYR A 32 132.022 5.733 20.131 1.00 0.51 N ATOM 541 CA TYR A 32 132.015 4.907 21.338 1.00 0.56 C ATOM 542 C TYR A 32 133.253 5.188 22.189 1.00 0.55 C ATOM 543 O TYR A 32 133.187 5.172 23.419 1.00 0.64 O ATOM 544 CB TYR A 32 131.964 3.419 20.973 1.00 0.61 C ATOM 545 CG TYR A 32 130.762 3.034 20.137 1.00 0.70 C ATOM 546 CD1 TYR A 32 129.473 3.149 20.642 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.919 2.553 18.843 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.375 2.796 19.880 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.827 2.199 18.076 1.00 1.19 C ATOM 550 CZ TYR A 32 128.557 2.322 18.598 1.00 1.23 C ATOM 551 OH TYR A 32 127.466 1.969 17.837 1.00 1.55 O ATOM 0 H TYR A 32 132.137 5.208 19.264 1.00 0.51 H new ATOM 0 HA TYR A 32 131.125 5.160 21.915 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.872 3.157 20.429 1.00 0.61 H new ATOM 0 HB3 TYR A 32 131.960 2.830 21.890 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.326 3.520 21.646 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.912 2.454 18.430 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.379 2.891 20.287 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.967 1.827 17.072 1.00 1.19 H new ATOM 0 HH TYR A 32 127.767 1.656 16.959 1.00 1.55 H new ATOM 561 N ILE A 33 134.380 5.451 21.521 1.00 0.53 N ATOM 562 CA ILE A 33 135.636 5.744 22.206 1.00 0.62 C ATOM 563 C ILE A 33 135.576 7.093 22.928 1.00 0.58 C ATOM 564 O ILE A 33 136.229 7.279 23.957 1.00 0.77 O ATOM 565 CB ILE A 33 136.829 5.752 21.221 1.00 0.75 C ATOM 566 CG1 ILE A 33 136.981 4.383 20.549 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.118 6.138 21.936 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.658 4.445 19.197 1.00 0.85 C ATOM 0 H ILE A 33 134.445 5.466 20.503 1.00 0.53 H new ATOM 0 HA ILE A 33 135.784 4.951 22.939 1.00 0.62 H new ATOM 0 HB ILE A 33 136.628 6.497 20.451 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.555 3.728 21.204 1.00 0.82 H new ATOM 0 HG13 ILE A 33 135.995 3.933 20.432 1.00 0.82 H new ATOM 0 HG21 ILE A 33 138.943 6.137 21.224 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.011 7.134 22.366 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.323 5.420 22.730 1.00 0.94 H new ATOM 0 HD11 ILE A 33 137.732 3.440 18.781 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.073 5.074 18.526 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.657 4.865 19.309 1.00 0.85 H new ATOM 580 N ASP A 34 134.798 8.036 22.382 1.00 0.49 N ATOM 581 CA ASP A 34 134.666 9.368 22.973 1.00 0.54 C ATOM 582 C ASP A 34 134.162 9.314 24.417 1.00 0.44 C ATOM 583 O ASP A 34 134.519 10.166 25.218 1.00 0.47 O ATOM 584 CB ASP A 34 133.729 10.235 22.125 1.00 0.75 C ATOM 585 CG ASP A 34 134.476 11.305 21.353 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.026 12.226 21.994 1.00 1.49 O ATOM 587 OD2 ASP A 34 134.510 11.223 20.107 1.00 1.42 O ATOM 0 H ASP A 34 134.251 7.898 21.532 1.00 0.49 H new ATOM 0 HA ASP A 34 135.661 9.813 22.989 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.183 9.600 21.427 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.989 10.707 22.772 1.00 0.75 H new ATOM 592 N ASN A 35 133.324 8.321 24.737 1.00 0.53 N ATOM 593 CA ASN A 35 132.765 8.163 26.088 1.00 0.57 C ATOM 594 C ASN A 35 133.782 8.529 27.172 1.00 0.47 C ATOM 595 O ASN A 35 133.450 9.234 28.127 1.00 0.58 O ATOM 596 CB ASN A 35 132.275 6.728 26.296 1.00 0.74 C ATOM 597 CG ASN A 35 130.836 6.538 25.852 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.907 6.670 26.648 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.642 6.226 24.574 1.00 1.32 N ATOM 0 H ASN A 35 133.015 7.609 24.075 1.00 0.53 H new ATOM 0 HA ASN A 35 131.923 8.850 26.175 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.917 6.044 25.741 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.365 6.465 27.350 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.695 6.087 24.221 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.440 6.126 23.947 1.00 1.32 H new ATOM 606 N LEU A 36 135.024 8.060 27.011 1.00 0.42 N ATOM 607 CA LEU A 36 136.090 8.358 27.971 1.00 0.47 C ATOM 608 C LEU A 36 136.308 9.869 28.067 1.00 0.42 C ATOM 609 O LEU A 36 136.336 10.434 29.162 1.00 0.53 O ATOM 610 CB LEU A 36 137.398 7.667 27.561 1.00 0.66 C ATOM 611 CG LEU A 36 137.281 6.173 27.241 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.549 5.673 26.566 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.994 5.374 28.505 1.00 1.66 C ATOM 0 H LEU A 36 135.314 7.475 26.228 1.00 0.42 H new ATOM 0 HA LEU A 36 135.787 7.979 28.947 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.800 8.178 26.686 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.123 7.793 28.365 1.00 0.66 H new ATOM 0 HG LEU A 36 136.447 6.033 26.553 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.449 4.610 26.346 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.708 6.223 25.638 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.400 5.827 27.230 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.915 4.316 28.256 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.805 5.519 29.219 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.057 5.714 28.946 1.00 1.66 H new ATOM 625 N LEU A 37 136.440 10.512 26.906 1.00 0.36 N ATOM 626 CA LEU A 37 136.633 11.956 26.829 1.00 0.40 C ATOM 627 C LEU A 37 135.466 12.615 26.082 1.00 0.32 C ATOM 628 O LEU A 37 135.651 13.232 25.030 1.00 0.42 O ATOM 629 CB LEU A 37 137.965 12.281 26.139 1.00 0.56 C ATOM 630 CG LEU A 37 138.182 11.602 24.782 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.816 12.570 23.793 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.040 10.354 24.939 1.00 0.63 C ATOM 0 H LEU A 37 136.416 10.047 25.998 1.00 0.36 H new ATOM 0 HA LEU A 37 136.662 12.356 27.843 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.030 13.360 26.001 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.779 11.995 26.804 1.00 0.56 H new ATOM 0 HG LEU A 37 137.210 11.302 24.390 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.962 12.069 22.836 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.161 13.431 23.656 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.779 12.904 24.178 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.183 9.886 23.965 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.009 10.629 25.355 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.543 9.653 25.609 1.00 0.63 H new ATOM 644 N VAL A 38 134.257 12.464 26.636 1.00 0.29 N ATOM 645 CA VAL A 38 133.045 13.035 26.044 1.00 0.41 C ATOM 646 C VAL A 38 131.859 12.906 27.006 1.00 0.38 C ATOM 647 O VAL A 38 131.905 12.119 27.954 1.00 0.61 O ATOM 648 CB VAL A 38 132.698 12.371 24.686 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.676 11.250 24.853 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.194 13.412 23.698 1.00 0.99 C ATOM 0 H VAL A 38 134.093 11.947 27.500 1.00 0.29 H new ATOM 0 HA VAL A 38 133.244 14.091 25.861 1.00 0.41 H new ATOM 0 HB VAL A 38 133.612 11.927 24.292 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.458 10.809 23.880 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.080 10.485 25.516 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.759 11.654 25.282 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.955 12.929 22.751 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.299 13.890 24.097 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.966 14.165 23.537 1.00 0.99 H new ATOM 660 N ARG A 39 130.803 13.684 26.758 1.00 0.44 N ATOM 661 CA ARG A 39 129.607 13.659 27.603 1.00 0.47 C ATOM 662 C ARG A 39 129.062 12.239 27.760 1.00 0.53 C ATOM 663 O ARG A 39 128.766 11.564 26.772 1.00 0.86 O ATOM 664 CB ARG A 39 128.525 14.572 27.015 1.00 0.59 C ATOM 665 CG ARG A 39 127.246 14.621 27.840 1.00 0.75 C ATOM 666 CD ARG A 39 127.374 15.581 29.013 1.00 0.97 C ATOM 667 NE ARG A 39 127.268 16.980 28.597 1.00 0.93 N ATOM 668 CZ ARG A 39 127.250 18.014 29.442 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.332 17.819 30.757 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.149 19.251 28.969 1.00 1.48 N ATOM 0 H ARG A 39 130.752 14.340 25.978 1.00 0.44 H new ATOM 0 HA ARG A 39 129.890 14.023 28.591 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.926 15.582 26.923 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.284 14.232 26.008 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.415 14.929 27.206 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.012 13.623 28.210 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.597 15.362 29.746 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.333 15.422 29.507 1.00 0.97 H new ATOM 0 HE ARG A 39 127.204 17.178 27.598 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.410 16.872 31.128 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.317 18.617 31.393 1.00 1.27 H new ATOM 0 HH21 ARG A 39 127.085 19.409 27.963 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.135 20.043 29.611 1.00 1.48 H new ATOM 684 N VAL A 40 128.931 11.799 29.011 1.00 0.46 N ATOM 685 CA VAL A 40 128.418 10.463 29.312 1.00 0.53 C ATOM 686 C VAL A 40 127.019 10.532 29.925 1.00 0.53 C ATOM 687 O VAL A 40 126.672 11.508 30.594 1.00 0.66 O ATOM 688 CB VAL A 40 129.353 9.695 30.272 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.657 9.334 29.576 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.620 10.503 31.537 1.00 0.78 C ATOM 0 H VAL A 40 129.174 12.350 29.834 1.00 0.46 H new ATOM 0 HA VAL A 40 128.370 9.927 28.364 1.00 0.53 H new ATOM 0 HB VAL A 40 128.854 8.771 30.564 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.302 8.794 30.269 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.446 8.705 28.711 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.159 10.245 29.248 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.281 9.940 32.196 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.092 11.449 31.272 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.678 10.699 32.049 1.00 0.78 H new ATOM 700 N MET A 41 126.223 9.487 29.694 1.00 0.53 N ATOM 701 CA MET A 41 124.861 9.421 30.223 1.00 0.60 C ATOM 702 C MET A 41 124.628 8.108 30.965 1.00 0.86 C ATOM 703 O MET A 41 124.440 8.096 32.181 1.00 1.20 O ATOM 704 CB MET A 41 123.838 9.575 29.092 1.00 0.75 C ATOM 705 CG MET A 41 124.020 8.580 27.954 1.00 0.56 C ATOM 706 SD MET A 41 122.574 8.480 26.882 1.00 0.67 S ATOM 707 CE MET A 41 122.970 9.725 25.657 1.00 0.54 C ATOM 0 H MET A 41 126.499 8.674 29.143 1.00 0.53 H new ATOM 0 HA MET A 41 124.733 10.243 30.928 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.836 9.461 29.504 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.904 10.586 28.691 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.888 8.867 27.361 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.229 7.594 28.369 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.167 9.781 24.922 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.083 10.693 26.145 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.901 9.460 25.157 1.00 0.54 H new ATOM 718 N GLY B 1 135.222 4.654 -27.289 1.00 0.61 N ATOM 719 CA GLY B 1 136.486 4.078 -27.826 1.00 0.61 C ATOM 720 C GLY B 1 136.883 2.787 -27.133 1.00 0.52 C ATOM 721 O GLY B 1 136.611 1.698 -27.640 1.00 0.60 O ATOM 0 H1 GLY B 1 134.998 5.533 -27.797 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.447 3.972 -27.418 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.337 4.859 -26.276 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.371 3.892 -28.894 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.289 4.807 -27.715 1.00 0.61 H new ATOM 727 N SER B 2 137.530 2.912 -25.973 1.00 0.50 N ATOM 728 CA SER B 2 137.972 1.747 -25.206 1.00 0.49 C ATOM 729 C SER B 2 137.329 1.698 -23.818 1.00 0.47 C ATOM 730 O SER B 2 137.748 0.905 -22.976 1.00 0.63 O ATOM 731 CB SER B 2 139.498 1.749 -25.079 1.00 0.55 C ATOM 732 OG SER B 2 140.117 1.575 -26.343 1.00 0.67 O ATOM 0 H SER B 2 137.759 3.809 -25.544 1.00 0.50 H new ATOM 0 HA SER B 2 137.653 0.857 -25.748 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.828 2.689 -24.636 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.811 0.952 -24.405 1.00 0.55 H new ATOM 0 HG SER B 2 141.091 1.582 -26.234 1.00 0.67 H new ATOM 738 N LEU B 3 136.295 2.520 -23.591 1.00 0.48 N ATOM 739 CA LEU B 3 135.589 2.528 -22.310 1.00 0.55 C ATOM 740 C LEU B 3 134.682 1.304 -22.236 1.00 0.65 C ATOM 741 O LEU B 3 133.457 1.405 -22.345 1.00 1.02 O ATOM 742 CB LEU B 3 134.772 3.816 -22.148 1.00 0.62 C ATOM 743 CG LEU B 3 135.504 4.968 -21.454 1.00 0.61 C ATOM 744 CD1 LEU B 3 136.309 5.777 -22.461 1.00 0.61 C ATOM 745 CD2 LEU B 3 134.514 5.861 -20.718 1.00 0.76 C ATOM 0 H LEU B 3 135.933 3.183 -24.276 1.00 0.48 H new ATOM 0 HA LEU B 3 136.315 2.492 -21.498 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.452 4.151 -23.135 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.869 3.586 -21.582 1.00 0.62 H new ATOM 0 HG LEU B 3 136.196 4.546 -20.725 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.821 6.591 -21.948 1.00 0.61 H new ATOM 0 HD12 LEU B 3 137.044 5.132 -22.942 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.639 6.189 -23.216 1.00 0.61 H new ATOM 0 HD21 LEU B 3 135.051 6.675 -20.230 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.798 6.273 -21.429 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.984 5.275 -19.967 1.00 0.76 H new ATOM 757 N THR B 4 135.310 0.141 -22.092 1.00 0.46 N ATOM 758 CA THR B 4 134.604 -1.131 -22.047 1.00 0.55 C ATOM 759 C THR B 4 135.389 -2.147 -21.208 1.00 0.42 C ATOM 760 O THR B 4 136.191 -1.765 -20.359 1.00 0.43 O ATOM 761 CB THR B 4 134.372 -1.656 -23.478 1.00 0.72 C ATOM 762 OG1 THR B 4 135.046 -0.856 -24.435 1.00 0.70 O ATOM 763 CG2 THR B 4 132.911 -1.693 -23.869 1.00 0.90 C ATOM 0 H THR B 4 136.323 0.056 -22.003 1.00 0.46 H new ATOM 0 HA THR B 4 133.633 -0.983 -21.574 1.00 0.55 H new ATOM 0 HB THR B 4 134.765 -2.673 -23.472 1.00 0.72 H new ATOM 0 HG1 THR B 4 134.883 -1.213 -25.333 1.00 0.70 H new ATOM 0 HG21 THR B 4 132.816 -2.072 -24.887 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.368 -2.347 -23.186 1.00 0.90 H new ATOM 0 HG23 THR B 4 132.495 -0.687 -23.816 1.00 0.90 H new ATOM 771 N TYR B 5 135.126 -3.434 -21.440 1.00 0.50 N ATOM 772 CA TYR B 5 135.787 -4.523 -20.707 1.00 0.45 C ATOM 773 C TYR B 5 137.267 -4.215 -20.432 1.00 0.41 C ATOM 774 O TYR B 5 137.695 -4.186 -19.277 1.00 0.46 O ATOM 775 CB TYR B 5 135.662 -5.835 -21.489 1.00 0.57 C ATOM 776 CG TYR B 5 136.162 -7.058 -20.742 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.229 -7.076 -19.352 1.00 0.69 C ATOM 778 CD2 TYR B 5 136.568 -8.195 -21.432 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.685 -8.189 -18.675 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.024 -9.313 -20.760 1.00 0.92 C ATOM 781 CZ TYR B 5 137.081 -9.304 -19.382 1.00 0.67 C ATOM 782 OH TYR B 5 137.536 -10.414 -18.708 1.00 0.84 O ATOM 0 H TYR B 5 134.453 -3.753 -22.137 1.00 0.50 H new ATOM 0 HA TYR B 5 135.286 -4.622 -19.744 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.616 -5.988 -21.754 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.217 -5.742 -22.423 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.919 -6.205 -18.794 1.00 0.69 H new ATOM 0 HD2 TYR B 5 136.526 -8.204 -22.511 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.731 -8.186 -17.596 1.00 0.69 H new ATOM 0 HE2 TYR B 5 137.334 -10.189 -21.311 1.00 0.92 H new ATOM 0 HH TYR B 5 137.774 -11.113 -19.352 1.00 0.84 H new ATOM 792 N GLU B 6 138.041 -3.997 -21.497 1.00 0.49 N ATOM 793 CA GLU B 6 139.473 -3.699 -21.372 1.00 0.50 C ATOM 794 C GLU B 6 139.743 -2.528 -20.416 1.00 0.38 C ATOM 795 O GLU B 6 140.794 -2.478 -19.773 1.00 0.44 O ATOM 796 CB GLU B 6 140.067 -3.387 -22.749 1.00 0.62 C ATOM 797 CG GLU B 6 141.574 -3.570 -22.815 1.00 0.68 C ATOM 798 CD GLU B 6 142.182 -2.973 -24.069 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.462 -1.755 -24.071 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.378 -3.722 -25.049 1.00 1.14 O ATOM 0 H GLU B 6 137.701 -4.021 -22.458 1.00 0.49 H new ATOM 0 HA GLU B 6 139.951 -4.584 -20.953 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.598 -4.031 -23.493 1.00 0.62 H new ATOM 0 HB3 GLU B 6 139.822 -2.359 -23.017 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.031 -3.108 -21.940 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.809 -4.634 -22.773 1.00 0.68 H new ATOM 807 N GLU B 7 138.794 -1.594 -20.325 1.00 0.32 N ATOM 808 CA GLU B 7 138.933 -0.429 -19.448 1.00 0.29 C ATOM 809 C GLU B 7 138.700 -0.800 -17.982 1.00 0.27 C ATOM 810 O GLU B 7 139.541 -0.513 -17.128 1.00 0.43 O ATOM 811 CB GLU B 7 137.960 0.675 -19.865 1.00 0.43 C ATOM 812 CG GLU B 7 138.437 2.075 -19.513 1.00 0.57 C ATOM 813 CD GLU B 7 137.964 2.524 -18.144 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.788 2.930 -18.025 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.768 2.469 -17.190 1.00 0.80 O ATOM 0 H GLU B 7 137.919 -1.622 -20.849 1.00 0.32 H new ATOM 0 HA GLU B 7 139.955 -0.063 -19.548 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.797 0.616 -20.941 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.997 0.498 -19.387 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.526 2.103 -19.544 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.079 2.777 -20.266 1.00 0.57 H new ATOM 822 N VAL B 8 137.553 -1.428 -17.695 1.00 0.35 N ATOM 823 CA VAL B 8 137.214 -1.828 -16.325 1.00 0.37 C ATOM 824 C VAL B 8 138.340 -2.646 -15.682 1.00 0.28 C ATOM 825 O VAL B 8 138.542 -2.583 -14.468 1.00 0.40 O ATOM 826 CB VAL B 8 135.883 -2.618 -16.266 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.982 -3.928 -17.031 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.465 -2.864 -14.821 1.00 0.78 C ATOM 0 H VAL B 8 136.847 -1.669 -18.391 1.00 0.35 H new ATOM 0 HA VAL B 8 137.087 -0.907 -15.756 1.00 0.37 H new ATOM 0 HB VAL B 8 135.115 -2.012 -16.746 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.031 -4.458 -16.970 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.216 -3.723 -18.076 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.769 -4.544 -16.597 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.528 -3.420 -14.803 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.238 -3.439 -14.311 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.330 -1.909 -14.314 1.00 0.78 H new ATOM 838 N LEU B 9 139.086 -3.391 -16.504 1.00 0.35 N ATOM 839 CA LEU B 9 140.204 -4.190 -16.008 1.00 0.49 C ATOM 840 C LEU B 9 141.251 -3.275 -15.371 1.00 0.52 C ATOM 841 O LEU B 9 141.591 -3.432 -14.198 1.00 0.74 O ATOM 842 CB LEU B 9 140.831 -5.005 -17.145 1.00 0.65 C ATOM 843 CG LEU B 9 140.112 -6.316 -17.474 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.281 -6.663 -18.946 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.632 -7.443 -16.592 1.00 0.76 C ATOM 0 H LEU B 9 138.935 -3.455 -17.511 1.00 0.35 H new ATOM 0 HA LEU B 9 139.832 -4.885 -15.255 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.857 -4.387 -18.043 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.865 -5.231 -16.883 1.00 0.65 H new ATOM 0 HG LEU B 9 139.048 -6.187 -17.274 1.00 0.65 H new ATOM 0 HD11 LEU B 9 139.763 -7.598 -19.161 1.00 0.85 H new ATOM 0 HD12 LEU B 9 139.860 -5.866 -19.558 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.341 -6.774 -19.174 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.111 -8.368 -16.838 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.701 -7.573 -16.760 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.457 -7.196 -15.545 1.00 0.76 H new ATOM 857 N GLN B 10 141.753 -2.320 -16.163 1.00 0.41 N ATOM 858 CA GLN B 10 142.762 -1.363 -15.698 1.00 0.48 C ATOM 859 C GLN B 10 142.412 -0.792 -14.322 1.00 0.42 C ATOM 860 O GLN B 10 143.290 -0.616 -13.480 1.00 0.48 O ATOM 861 CB GLN B 10 142.916 -0.219 -16.705 1.00 0.58 C ATOM 862 CG GLN B 10 143.997 -0.463 -17.746 1.00 0.66 C ATOM 863 CD GLN B 10 145.369 -0.012 -17.279 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.910 -0.538 -16.306 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.941 0.970 -17.970 1.00 0.83 N ATOM 0 H GLN B 10 141.474 -2.190 -17.135 1.00 0.41 H new ATOM 0 HA GLN B 10 143.705 -1.903 -15.611 1.00 0.48 H new ATOM 0 HB2 GLN B 10 141.964 -0.063 -17.212 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.144 0.700 -16.165 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.031 -1.525 -17.988 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.738 0.065 -18.664 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.458 1.379 -18.770 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.862 1.314 -17.700 1.00 0.83 H new ATOM 874 N GLU B 11 141.126 -0.507 -14.098 1.00 0.40 N ATOM 875 CA GLU B 11 140.672 0.037 -12.816 1.00 0.42 C ATOM 876 C GLU B 11 140.983 -0.938 -11.679 1.00 0.37 C ATOM 877 O GLU B 11 141.553 -0.551 -10.659 1.00 0.54 O ATOM 878 CB GLU B 11 139.170 0.334 -12.864 1.00 0.48 C ATOM 879 CG GLU B 11 138.824 1.584 -13.658 1.00 0.62 C ATOM 880 CD GLU B 11 137.344 1.686 -13.975 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.586 2.179 -13.114 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.944 1.276 -15.085 1.00 1.61 O ATOM 0 H GLU B 11 140.384 -0.643 -14.785 1.00 0.40 H new ATOM 0 HA GLU B 11 141.206 0.969 -12.629 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.653 -0.520 -13.302 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.797 0.445 -11.846 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.132 2.464 -13.094 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.392 1.587 -14.589 1.00 0.62 H new ATOM 889 N LEU B 12 140.598 -2.202 -11.871 1.00 0.32 N ATOM 890 CA LEU B 12 140.828 -3.253 -10.875 1.00 0.30 C ATOM 891 C LEU B 12 142.264 -3.209 -10.336 1.00 0.28 C ATOM 892 O LEU B 12 142.470 -3.228 -9.122 1.00 0.36 O ATOM 893 CB LEU B 12 140.536 -4.633 -11.480 1.00 0.32 C ATOM 894 CG LEU B 12 139.740 -5.589 -10.584 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.536 -5.943 -9.336 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.394 -4.981 -10.211 1.00 0.54 C ATOM 0 H LEU B 12 140.122 -2.525 -12.713 1.00 0.32 H new ATOM 0 HA LEU B 12 140.149 -3.076 -10.041 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.987 -4.494 -12.412 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.484 -5.107 -11.736 1.00 0.32 H new ATOM 0 HG LEU B 12 139.556 -6.507 -11.142 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.954 -6.622 -8.713 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.470 -6.426 -9.625 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.756 -5.035 -8.775 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.845 -5.675 -9.575 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.553 -4.046 -9.674 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.819 -4.786 -11.116 1.00 0.54 H new ATOM 908 N VAL B 13 143.251 -3.137 -11.238 1.00 0.25 N ATOM 909 CA VAL B 13 144.659 -3.075 -10.831 1.00 0.26 C ATOM 910 C VAL B 13 144.996 -1.710 -10.217 1.00 0.22 C ATOM 911 O VAL B 13 145.823 -1.619 -9.308 1.00 0.26 O ATOM 912 CB VAL B 13 145.618 -3.378 -12.012 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.855 -2.146 -12.878 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.937 -3.933 -11.495 1.00 0.52 C ATOM 0 H VAL B 13 143.102 -3.120 -12.247 1.00 0.25 H new ATOM 0 HA VAL B 13 144.803 -3.847 -10.075 1.00 0.26 H new ATOM 0 HB VAL B 13 145.142 -4.131 -12.640 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.532 -2.400 -13.694 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.906 -1.801 -13.288 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.297 -1.355 -12.272 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.599 -4.141 -12.336 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.406 -3.202 -10.836 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.752 -4.854 -10.943 1.00 0.52 H new ATOM 924 N LYS B 14 144.332 -0.659 -10.710 1.00 0.24 N ATOM 925 CA LYS B 14 144.541 0.695 -10.197 1.00 0.25 C ATOM 926 C LYS B 14 144.223 0.727 -8.704 1.00 0.22 C ATOM 927 O LYS B 14 145.084 1.038 -7.882 1.00 0.29 O ATOM 928 CB LYS B 14 143.669 1.706 -10.951 1.00 0.34 C ATOM 929 CG LYS B 14 144.299 3.085 -11.062 1.00 0.87 C ATOM 930 CD LYS B 14 143.619 3.929 -12.129 1.00 0.75 C ATOM 931 CE LYS B 14 144.167 5.349 -12.148 1.00 0.70 C ATOM 932 NZ LYS B 14 144.069 5.974 -13.498 1.00 0.72 N ATOM 0 H LYS B 14 143.647 -0.722 -11.463 1.00 0.24 H new ATOM 0 HA LYS B 14 145.584 0.973 -10.351 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.468 1.325 -11.952 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.708 1.794 -10.445 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.234 3.593 -10.100 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.358 2.983 -11.298 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.764 3.468 -13.106 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.545 3.954 -11.945 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.620 5.957 -11.428 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.209 5.338 -11.830 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.454 6.940 -13.462 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.612 5.410 -14.182 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.072 6.009 -13.793 1.00 0.72 H new ATOM 946 N HIS B 15 142.982 0.375 -8.365 1.00 0.24 N ATOM 947 CA HIS B 15 142.534 0.328 -6.973 1.00 0.27 C ATOM 948 C HIS B 15 143.391 -0.653 -6.167 1.00 0.25 C ATOM 949 O HIS B 15 143.764 -0.377 -5.026 1.00 0.45 O ATOM 950 CB HIS B 15 141.063 -0.101 -6.916 1.00 0.33 C ATOM 951 CG HIS B 15 140.112 0.929 -7.445 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.655 1.993 -6.696 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.527 1.050 -8.662 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.831 2.723 -7.427 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.737 2.172 -8.623 1.00 0.76 N ATOM 0 H HIS B 15 142.264 0.116 -9.042 1.00 0.24 H new ATOM 0 HA HIS B 15 142.639 1.322 -6.539 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.940 -1.022 -7.486 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.800 -0.328 -5.883 1.00 0.33 H new ATOM 0 HD2 HIS B 15 139.658 0.387 -9.505 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.321 3.618 -7.102 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.169 2.523 -9.394 1.00 0.76 H new ATOM 964 N LYS B 16 143.689 -1.801 -6.783 1.00 0.21 N ATOM 965 CA LYS B 16 144.497 -2.839 -6.139 1.00 0.27 C ATOM 966 C LYS B 16 145.820 -2.257 -5.634 1.00 0.36 C ATOM 967 O LYS B 16 146.095 -2.283 -4.433 1.00 0.69 O ATOM 968 CB LYS B 16 144.765 -3.995 -7.109 1.00 0.35 C ATOM 969 CG LYS B 16 144.258 -5.338 -6.609 1.00 0.46 C ATOM 970 CD LYS B 16 143.745 -6.202 -7.751 1.00 0.49 C ATOM 971 CE LYS B 16 144.071 -7.672 -7.530 1.00 0.53 C ATOM 972 NZ LYS B 16 145.510 -7.969 -7.779 1.00 0.61 N ATOM 0 H LYS B 16 143.382 -2.034 -7.727 1.00 0.21 H new ATOM 0 HA LYS B 16 143.937 -3.223 -5.286 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.294 -3.772 -8.066 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.838 -4.065 -7.290 1.00 0.35 H new ATOM 0 HG2 LYS B 16 145.061 -5.860 -6.089 1.00 0.46 H new ATOM 0 HG3 LYS B 16 143.459 -5.179 -5.884 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.666 -6.078 -7.846 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.188 -5.867 -8.689 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.815 -7.950 -6.508 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.455 -8.283 -8.190 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.665 -8.996 -7.734 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.779 -7.619 -8.721 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.092 -7.499 -7.056 1.00 0.61 H new ATOM 986 N GLU B 17 146.636 -1.738 -6.555 1.00 0.30 N ATOM 987 CA GLU B 17 147.930 -1.155 -6.198 1.00 0.38 C ATOM 988 C GLU B 17 147.759 0.079 -5.305 1.00 0.32 C ATOM 989 O GLU B 17 148.586 0.330 -4.427 1.00 0.40 O ATOM 990 CB GLU B 17 148.735 -0.824 -7.472 1.00 0.51 C ATOM 991 CG GLU B 17 148.942 0.665 -7.751 1.00 0.80 C ATOM 992 CD GLU B 17 148.123 1.168 -8.928 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.138 0.510 -9.992 1.00 1.47 O ATOM 994 OE2 GLU B 17 147.473 2.224 -8.787 1.00 1.49 O ATOM 0 H GLU B 17 146.423 -1.710 -7.552 1.00 0.30 H new ATOM 0 HA GLU B 17 148.491 -1.890 -5.621 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.712 -1.301 -7.398 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.227 -1.269 -8.328 1.00 0.51 H new ATOM 0 HG2 GLU B 17 148.678 1.236 -6.861 1.00 0.80 H new ATOM 0 HG3 GLU B 17 149.999 0.849 -7.946 1.00 0.80 H new ATOM 1001 N LEU B 18 146.685 0.843 -5.529 1.00 0.32 N ATOM 1002 CA LEU B 18 146.414 2.044 -4.737 1.00 0.34 C ATOM 1003 C LEU B 18 146.190 1.700 -3.262 1.00 0.35 C ATOM 1004 O LEU B 18 146.573 2.467 -2.378 1.00 0.66 O ATOM 1005 CB LEU B 18 145.192 2.786 -5.289 1.00 0.51 C ATOM 1006 CG LEU B 18 145.497 3.814 -6.383 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.222 4.213 -7.113 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.182 5.038 -5.791 1.00 0.75 C ATOM 0 H LEU B 18 145.991 0.650 -6.251 1.00 0.32 H new ATOM 0 HA LEU B 18 147.289 2.691 -4.809 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.490 2.053 -5.686 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.691 3.293 -4.465 1.00 0.51 H new ATOM 0 HG LEU B 18 146.175 3.357 -7.104 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.459 4.944 -7.886 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.774 3.331 -7.572 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.518 4.650 -6.404 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.391 5.757 -6.583 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.530 5.496 -5.048 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.117 4.738 -5.317 1.00 0.75 H new ATOM 1020 N LEU B 19 145.588 0.534 -3.003 1.00 0.45 N ATOM 1021 CA LEU B 19 145.334 0.081 -1.634 1.00 0.47 C ATOM 1022 C LEU B 19 146.606 -0.493 -1.003 1.00 0.33 C ATOM 1023 O LEU B 19 146.751 -0.501 0.221 1.00 0.45 O ATOM 1024 CB LEU B 19 144.219 -0.969 -1.616 1.00 0.63 C ATOM 1025 CG LEU B 19 142.879 -0.483 -1.056 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.747 -1.393 -1.511 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.930 -0.409 0.464 1.00 0.96 C ATOM 0 H LEU B 19 145.268 -0.112 -3.725 1.00 0.45 H new ATOM 0 HA LEU B 19 145.017 0.943 -1.047 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.062 -1.327 -2.633 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.554 -1.822 -1.026 1.00 0.63 H new ATOM 0 HG LEU B 19 142.689 0.519 -1.442 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.803 -1.031 -1.103 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.695 -1.393 -2.600 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.931 -2.407 -1.157 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.969 -0.062 0.844 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.145 -1.398 0.869 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.713 0.286 0.768 1.00 0.96 H new ATOM 1039 N ARG B 20 147.531 -0.951 -1.850 1.00 0.35 N ATOM 1040 CA ARG B 20 148.799 -1.502 -1.382 1.00 0.49 C ATOM 1041 C ARG B 20 149.726 -0.369 -0.954 1.00 0.40 C ATOM 1042 O ARG B 20 150.171 -0.320 0.194 1.00 0.49 O ATOM 1043 CB ARG B 20 149.456 -2.350 -2.477 1.00 0.76 C ATOM 1044 CG ARG B 20 149.092 -3.824 -2.402 1.00 0.85 C ATOM 1045 CD ARG B 20 149.843 -4.638 -3.444 1.00 0.96 C ATOM 1046 NE ARG B 20 149.403 -6.034 -3.474 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.108 -7.031 -4.018 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.289 -6.794 -4.585 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.628 -8.269 -3.995 1.00 1.59 N ATOM 0 H ARG B 20 147.423 -0.950 -2.864 1.00 0.35 H new ATOM 0 HA ARG B 20 148.608 -2.147 -0.524 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.163 -1.961 -3.452 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.539 -2.247 -2.405 1.00 0.76 H new ATOM 0 HG2 ARG B 20 149.320 -4.206 -1.407 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.019 -3.943 -2.551 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.697 -4.191 -4.427 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.912 -4.600 -3.232 1.00 0.96 H new ATOM 0 HE ARG B 20 148.502 -6.260 -3.053 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.663 -5.845 -4.607 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.820 -7.561 -4.998 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.723 -8.457 -3.563 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.164 -9.032 -4.409 1.00 1.59 H new ATOM 1063 N ARG B 21 150.002 0.546 -1.889 1.00 0.35 N ATOM 1064 CA ARG B 21 150.865 1.697 -1.622 1.00 0.35 C ATOM 1065 C ARG B 21 150.398 2.451 -0.376 1.00 0.34 C ATOM 1066 O ARG B 21 151.205 2.779 0.492 1.00 0.47 O ATOM 1067 CB ARG B 21 150.886 2.638 -2.830 1.00 0.45 C ATOM 1068 CG ARG B 21 152.267 3.191 -3.148 1.00 0.70 C ATOM 1069 CD ARG B 21 152.205 4.657 -3.548 1.00 0.98 C ATOM 1070 NE ARG B 21 151.330 4.877 -4.701 1.00 0.97 N ATOM 1071 CZ ARG B 21 150.581 5.969 -4.878 1.00 1.25 C ATOM 1072 NH1 ARG B 21 150.608 6.963 -3.993 1.00 2.12 N ATOM 1073 NH2 ARG B 21 149.804 6.069 -5.952 1.00 1.53 N ATOM 0 H ARG B 21 149.637 0.510 -2.841 1.00 0.35 H new ATOM 0 HA ARG B 21 151.875 1.329 -1.442 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.508 2.104 -3.702 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.205 3.469 -2.645 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.914 3.078 -2.278 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.714 2.612 -3.956 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.848 5.248 -2.704 1.00 0.98 H new ATOM 0 HD3 ARG B 21 153.209 5.011 -3.783 1.00 0.98 H new ATOM 0 HE ARG B 21 151.290 4.150 -5.415 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.205 6.896 -3.169 1.00 2.12 H new ATOM 0 HH12 ARG B 21 150.032 7.792 -4.139 1.00 2.12 H new ATOM 0 HH21 ARG B 21 149.781 5.314 -6.637 1.00 1.53 H new ATOM 0 HH22 ARG B 21 149.231 6.901 -6.091 1.00 1.53 H new ATOM 1087 N LYS B 22 149.090 2.730 -0.306 1.00 0.30 N ATOM 1088 CA LYS B 22 148.500 3.451 0.827 1.00 0.36 C ATOM 1089 C LYS B 22 149.009 2.919 2.168 1.00 0.31 C ATOM 1090 O LYS B 22 149.365 3.698 3.054 1.00 0.36 O ATOM 1091 CB LYS B 22 146.971 3.349 0.779 1.00 0.47 C ATOM 1092 CG LYS B 22 146.258 4.622 1.207 1.00 0.69 C ATOM 1093 CD LYS B 22 144.748 4.489 1.073 1.00 0.86 C ATOM 1094 CE LYS B 22 144.144 3.734 2.248 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.821 4.641 3.385 1.00 0.70 N ATOM 0 H LYS B 22 148.418 2.465 -1.026 1.00 0.30 H new ATOM 0 HA LYS B 22 148.802 4.495 0.743 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.665 3.096 -0.236 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.650 2.530 1.423 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.513 4.853 2.241 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.606 5.457 0.599 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.300 5.480 1.008 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.509 3.970 0.145 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.238 3.222 1.923 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.841 2.966 2.583 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.412 4.088 4.165 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.689 5.111 3.712 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.136 5.359 3.073 1.00 0.70 H new ATOM 1109 N ASP B 23 149.057 1.591 2.308 1.00 0.32 N ATOM 1110 CA ASP B 23 149.538 0.966 3.539 1.00 0.32 C ATOM 1111 C ASP B 23 151.061 1.053 3.635 1.00 0.30 C ATOM 1112 O ASP B 23 151.612 1.228 4.721 1.00 0.37 O ATOM 1113 CB ASP B 23 149.093 -0.498 3.608 1.00 0.36 C ATOM 1114 CG ASP B 23 148.669 -0.907 5.006 1.00 0.75 C ATOM 1115 OD1 ASP B 23 149.557 -1.113 5.860 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.449 -1.019 5.247 1.00 1.15 O ATOM 0 H ASP B 23 148.769 0.931 1.585 1.00 0.32 H new ATOM 0 HA ASP B 23 149.106 1.507 4.381 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.264 -0.656 2.919 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.910 -1.139 3.276 1.00 0.36 H new ATOM 1121 N THR B 24 151.734 0.936 2.489 1.00 0.28 N ATOM 1122 CA THR B 24 153.193 1.012 2.437 1.00 0.29 C ATOM 1123 C THR B 24 153.691 2.401 2.857 1.00 0.27 C ATOM 1124 O THR B 24 154.808 2.536 3.353 1.00 0.32 O ATOM 1125 CB THR B 24 153.694 0.680 1.026 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.187 -0.571 0.594 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.204 0.622 0.919 1.00 0.55 C ATOM 0 H THR B 24 151.290 0.788 1.583 1.00 0.28 H new ATOM 0 HA THR B 24 153.592 0.280 3.139 1.00 0.29 H new ATOM 0 HB THR B 24 153.333 1.494 0.397 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.230 -0.487 0.402 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.487 0.383 -0.106 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.626 1.588 1.196 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.587 -0.147 1.590 1.00 0.55 H new ATOM 1135 N HIS B 25 152.852 3.427 2.662 1.00 0.26 N ATOM 1136 CA HIS B 25 153.211 4.798 3.027 1.00 0.29 C ATOM 1137 C HIS B 25 153.201 4.977 4.543 1.00 0.31 C ATOM 1138 O HIS B 25 154.192 5.416 5.124 1.00 0.41 O ATOM 1139 CB HIS B 25 152.261 5.801 2.368 1.00 0.34 C ATOM 1140 CG HIS B 25 152.952 7.021 1.843 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.722 7.851 2.632 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.989 7.550 0.597 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.202 8.836 1.895 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.772 8.676 0.657 1.00 0.74 N ATOM 0 H HIS B 25 151.922 3.331 2.254 1.00 0.26 H new ATOM 0 HA HIS B 25 154.221 4.988 2.664 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.737 5.309 1.549 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.506 6.104 3.093 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.495 7.159 -0.280 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.838 9.636 2.245 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.987 9.290 -0.128 1.00 0.74 H new ATOM 1153 N ILE B 26 152.089 4.615 5.186 1.00 0.29 N ATOM 1154 CA ILE B 26 151.989 4.719 6.644 1.00 0.35 C ATOM 1155 C ILE B 26 152.995 3.776 7.314 1.00 0.35 C ATOM 1156 O ILE B 26 153.403 3.996 8.456 1.00 0.47 O ATOM 1157 CB ILE B 26 150.563 4.409 7.160 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.033 3.098 6.569 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.621 5.558 6.834 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.897 1.984 7.585 1.00 0.68 C ATOM 0 H ILE B 26 151.254 4.251 4.727 1.00 0.29 H new ATOM 0 HA ILE B 26 152.218 5.752 6.906 1.00 0.35 H new ATOM 0 HB ILE B 26 150.614 4.293 8.243 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.060 3.282 6.113 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.702 2.772 5.773 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.622 5.325 7.203 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.981 6.470 7.311 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.584 5.703 5.754 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.517 1.088 7.094 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.872 1.771 8.024 1.00 0.68 H new ATOM 0 HD13 ILE B 26 149.205 2.289 8.369 1.00 0.68 H new ATOM 1172 N ARG B 27 153.403 2.736 6.576 1.00 0.31 N ATOM 1173 CA ARG B 27 154.373 1.764 7.067 1.00 0.37 C ATOM 1174 C ARG B 27 155.798 2.309 6.938 1.00 0.34 C ATOM 1175 O ARG B 27 156.592 2.206 7.874 1.00 0.39 O ATOM 1176 CB ARG B 27 154.243 0.444 6.300 1.00 0.46 C ATOM 1177 CG ARG B 27 154.942 -0.727 6.975 1.00 0.53 C ATOM 1178 CD ARG B 27 155.869 -1.456 6.013 1.00 0.80 C ATOM 1179 NE ARG B 27 157.137 -0.748 5.826 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.254 -1.320 5.369 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.272 -2.612 5.048 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.360 -0.596 5.232 1.00 1.67 N ATOM 0 H ARG B 27 153.070 2.550 5.630 1.00 0.31 H new ATOM 0 HA ARG B 27 154.166 1.580 8.121 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.186 0.205 6.182 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.655 0.574 5.299 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.514 -0.366 7.830 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.197 -1.423 7.361 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.067 -2.459 6.391 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.373 -1.571 5.049 1.00 0.80 H new ATOM 0 HE ARG B 27 157.169 0.244 6.059 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.427 -3.175 5.150 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.130 -3.039 4.700 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.355 0.394 5.476 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.214 -1.031 4.883 1.00 1.67 H new ATOM 1196 N GLU B 28 156.116 2.890 5.775 1.00 0.33 N ATOM 1197 CA GLU B 28 157.448 3.449 5.537 1.00 0.36 C ATOM 1198 C GLU B 28 157.670 4.721 6.356 1.00 0.35 C ATOM 1199 O GLU B 28 158.749 4.921 6.918 1.00 0.44 O ATOM 1200 CB GLU B 28 157.681 3.723 4.041 1.00 0.47 C ATOM 1201 CG GLU B 28 156.708 4.716 3.418 1.00 0.78 C ATOM 1202 CD GLU B 28 157.243 6.138 3.392 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.377 6.340 2.907 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.526 7.050 3.852 1.00 1.79 O ATOM 0 H GLU B 28 155.472 2.984 4.990 1.00 0.33 H new ATOM 0 HA GLU B 28 158.175 2.704 5.862 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.696 4.097 3.908 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.615 2.780 3.498 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.479 4.401 2.400 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.772 4.697 3.975 1.00 0.78 H new ATOM 1211 N LEU B 29 156.646 5.576 6.425 1.00 0.33 N ATOM 1212 CA LEU B 29 156.731 6.826 7.181 1.00 0.38 C ATOM 1213 C LEU B 29 156.896 6.566 8.682 1.00 0.42 C ATOM 1214 O LEU B 29 157.445 7.403 9.401 1.00 0.79 O ATOM 1215 CB LEU B 29 155.482 7.678 6.938 1.00 0.46 C ATOM 1216 CG LEU B 29 155.706 9.193 6.993 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.369 9.832 5.653 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.876 9.816 8.109 1.00 0.59 C ATOM 0 H LEU B 29 155.748 5.424 5.966 1.00 0.33 H new ATOM 0 HA LEU B 29 157.612 7.364 6.831 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.072 7.423 5.961 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.729 7.411 7.680 1.00 0.46 H new ATOM 0 HG LEU B 29 156.759 9.378 7.205 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.534 10.908 5.711 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.007 9.408 4.877 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.324 9.638 5.410 1.00 0.82 H new ATOM 0 HD21 LEU B 29 155.048 10.892 8.133 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.819 9.621 7.928 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.167 9.381 9.065 1.00 0.59 H new ATOM 1230 N GLU B 30 156.438 5.398 9.146 1.00 0.43 N ATOM 1231 CA GLU B 30 156.553 5.031 10.558 1.00 0.45 C ATOM 1232 C GLU B 30 158.019 4.855 10.971 1.00 0.44 C ATOM 1233 O GLU B 30 158.362 5.019 12.143 1.00 0.58 O ATOM 1234 CB GLU B 30 155.768 3.745 10.842 1.00 0.51 C ATOM 1235 CG GLU B 30 154.514 3.972 11.673 1.00 0.58 C ATOM 1236 CD GLU B 30 154.825 4.326 13.115 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.037 5.524 13.401 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.858 3.406 13.959 1.00 1.26 O ATOM 0 H GLU B 30 155.985 4.693 8.564 1.00 0.43 H new ATOM 0 HA GLU B 30 156.130 5.844 11.148 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.488 3.283 9.895 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.416 3.040 11.362 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.926 4.773 11.225 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.899 3.073 11.648 1.00 0.58 H new ATOM 1245 N ASP B 31 158.880 4.538 9.998 1.00 0.41 N ATOM 1246 CA ASP B 31 160.309 4.362 10.258 1.00 0.55 C ATOM 1247 C ASP B 31 160.962 5.709 10.566 1.00 0.57 C ATOM 1248 O ASP B 31 161.765 5.822 11.494 1.00 0.76 O ATOM 1249 CB ASP B 31 160.998 3.707 9.056 1.00 0.69 C ATOM 1250 CG ASP B 31 161.634 2.377 9.407 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.774 2.379 9.917 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.990 1.332 9.174 1.00 1.74 O ATOM 0 H ASP B 31 158.610 4.399 9.024 1.00 0.41 H new ATOM 0 HA ASP B 31 160.423 3.709 11.123 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.269 3.559 8.259 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.762 4.380 8.668 1.00 0.69 H new ATOM 1257 N TYR B 32 160.597 6.730 9.786 1.00 0.49 N ATOM 1258 CA TYR B 32 161.129 8.079 9.976 1.00 0.56 C ATOM 1259 C TYR B 32 160.639 8.668 11.299 1.00 0.56 C ATOM 1260 O TYR B 32 161.372 9.395 11.972 1.00 0.67 O ATOM 1261 CB TYR B 32 160.714 8.991 8.816 1.00 0.60 C ATOM 1262 CG TYR B 32 161.165 8.500 7.457 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.515 8.398 7.145 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.238 8.139 6.488 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.928 7.951 5.904 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.643 7.690 5.246 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.988 7.598 4.958 1.00 1.21 C ATOM 1268 OH TYR B 32 162.395 7.153 3.721 1.00 1.53 O ATOM 0 H TYR B 32 159.934 6.646 9.016 1.00 0.49 H new ATOM 0 HA TYR B 32 162.217 8.013 10.000 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.628 9.089 8.814 1.00 0.60 H new ATOM 0 HB3 TYR B 32 161.123 9.987 8.986 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.253 8.672 7.884 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.183 8.210 6.709 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.981 7.878 5.676 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.909 7.412 4.504 1.00 1.17 H new ATOM 0 HH TYR B 32 161.609 6.945 3.173 1.00 1.53 H new ATOM 1278 N ILE B 33 159.397 8.342 11.665 1.00 0.54 N ATOM 1279 CA ILE B 33 158.803 8.829 12.908 1.00 0.64 C ATOM 1280 C ILE B 33 159.482 8.207 14.132 1.00 0.58 C ATOM 1281 O ILE B 33 159.552 8.833 15.191 1.00 0.78 O ATOM 1282 CB ILE B 33 157.286 8.527 12.964 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.557 9.215 11.806 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.697 8.968 14.299 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.266 8.529 11.411 1.00 0.87 C ATOM 0 H ILE B 33 158.783 7.741 11.115 1.00 0.54 H new ATOM 0 HA ILE B 33 158.953 9.908 12.926 1.00 0.64 H new ATOM 0 HB ILE B 33 157.150 7.450 12.868 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.340 10.246 12.085 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.219 9.251 10.941 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.630 8.746 14.317 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.192 8.433 15.110 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.847 10.040 14.427 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.804 9.071 10.585 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.478 7.506 11.100 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.586 8.516 12.262 1.00 0.87 H new ATOM 1297 N ASP B 34 159.976 6.971 13.985 1.00 0.46 N ATOM 1298 CA ASP B 34 160.639 6.266 15.083 1.00 0.50 C ATOM 1299 C ASP B 34 161.841 7.041 15.628 1.00 0.40 C ATOM 1300 O ASP B 34 162.141 6.945 16.810 1.00 0.45 O ATOM 1301 CB ASP B 34 161.081 4.872 14.631 1.00 0.69 C ATOM 1302 CG ASP B 34 160.227 3.774 15.234 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.286 3.584 16.468 1.00 1.46 O ATOM 1304 OD2 ASP B 34 159.496 3.105 14.474 1.00 1.34 O ATOM 0 H ASP B 34 159.928 6.441 13.115 1.00 0.46 H new ATOM 0 HA ASP B 34 159.912 6.175 15.890 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.031 4.812 13.544 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.122 4.715 14.912 1.00 0.69 H new ATOM 1309 N ASN B 35 162.529 7.793 14.762 1.00 0.52 N ATOM 1310 CA ASN B 35 163.706 8.580 15.157 1.00 0.58 C ATOM 1311 C ASN B 35 163.540 9.191 16.552 1.00 0.49 C ATOM 1312 O ASN B 35 164.459 9.137 17.370 1.00 0.61 O ATOM 1313 CB ASN B 35 163.975 9.687 14.134 1.00 0.78 C ATOM 1314 CG ASN B 35 164.869 9.221 12.999 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.089 9.367 13.056 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.265 8.654 11.958 1.00 1.31 N ATOM 0 H ASN B 35 162.289 7.874 13.774 1.00 0.52 H new ATOM 0 HA ASN B 35 164.557 7.900 15.187 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.028 10.039 13.726 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.441 10.536 14.635 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.817 8.321 11.167 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.250 8.552 11.951 1.00 1.31 H new ATOM 1323 N LEU B 36 162.358 9.755 16.822 1.00 0.44 N ATOM 1324 CA LEU B 36 162.071 10.354 18.127 1.00 0.51 C ATOM 1325 C LEU B 36 162.206 9.305 19.233 1.00 0.47 C ATOM 1326 O LEU B 36 162.886 9.529 20.236 1.00 0.59 O ATOM 1327 CB LEU B 36 160.661 10.958 18.150 1.00 0.71 C ATOM 1328 CG LEU B 36 160.323 11.886 16.978 1.00 0.83 C ATOM 1329 CD1 LEU B 36 158.831 12.177 16.943 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.120 13.181 17.072 1.00 1.64 C ATOM 0 H LEU B 36 161.588 9.809 16.156 1.00 0.44 H new ATOM 0 HA LEU B 36 162.793 11.151 18.302 1.00 0.51 H new ATOM 0 HB2 LEU B 36 159.936 10.144 18.167 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.538 11.515 19.079 1.00 0.71 H new ATOM 0 HG LEU B 36 160.597 11.383 16.051 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.609 12.837 16.105 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.281 11.243 16.825 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.532 12.659 17.874 1.00 1.00 H new ATOM 0 HD21 LEU B 36 160.866 13.826 16.231 1.00 1.64 H new ATOM 0 HD22 LEU B 36 160.879 13.690 18.005 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.186 12.955 17.047 1.00 1.64 H new ATOM 1342 N LEU B 37 161.566 8.154 19.024 1.00 0.41 N ATOM 1343 CA LEU B 37 161.614 7.045 19.976 1.00 0.48 C ATOM 1344 C LEU B 37 162.258 5.815 19.325 1.00 0.41 C ATOM 1345 O LEU B 37 161.614 4.776 19.156 1.00 0.54 O ATOM 1346 CB LEU B 37 160.201 6.711 20.472 1.00 0.65 C ATOM 1347 CG LEU B 37 159.157 6.479 19.371 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.257 5.303 19.725 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.330 7.738 19.143 1.00 0.69 C ATOM 0 H LEU B 37 161.003 7.965 18.195 1.00 0.41 H new ATOM 0 HA LEU B 37 162.221 7.342 20.831 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.254 5.817 21.094 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.856 7.524 21.111 1.00 0.65 H new ATOM 0 HG LEU B 37 159.682 6.242 18.446 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.524 5.155 18.932 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.861 4.402 19.834 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.741 5.509 20.663 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.595 7.554 18.359 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.816 8.008 20.066 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.986 8.554 18.841 1.00 0.69 H new ATOM 1361 N VAL B 38 163.532 5.953 18.943 1.00 0.36 N ATOM 1362 CA VAL B 38 164.269 4.881 18.277 1.00 0.49 C ATOM 1363 C VAL B 38 164.106 3.547 18.997 1.00 0.67 C ATOM 1364 O VAL B 38 164.454 3.414 20.169 1.00 1.35 O ATOM 1365 CB VAL B 38 165.776 5.213 18.169 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.546 4.050 17.556 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.990 6.485 17.360 1.00 0.89 C ATOM 0 H VAL B 38 164.075 6.804 19.086 1.00 0.36 H new ATOM 0 HA VAL B 38 163.846 4.796 17.276 1.00 0.49 H new ATOM 0 HB VAL B 38 166.159 5.379 19.176 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.603 4.308 17.491 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.426 3.165 18.181 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.160 3.844 16.557 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.057 6.701 17.296 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.586 6.350 16.357 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.480 7.316 17.847 1.00 0.89 H new ATOM 1377 N ARG B 39 163.480 2.607 18.282 1.00 0.54 N ATOM 1378 CA ARG B 39 163.138 1.283 18.816 1.00 0.62 C ATOM 1379 C ARG B 39 164.296 0.643 19.583 1.00 0.51 C ATOM 1380 O ARG B 39 165.063 -0.158 19.046 1.00 0.63 O ATOM 1381 CB ARG B 39 162.719 0.333 17.685 1.00 0.93 C ATOM 1382 CG ARG B 39 161.676 0.894 16.731 1.00 1.15 C ATOM 1383 CD ARG B 39 161.669 0.141 15.406 1.00 1.41 C ATOM 1384 NE ARG B 39 161.714 -1.313 15.590 1.00 1.58 N ATOM 1385 CZ ARG B 39 162.834 -2.045 15.562 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.018 -1.475 15.349 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.768 -3.359 15.749 1.00 2.18 N ATOM 0 H ARG B 39 163.195 2.743 17.312 1.00 0.54 H new ATOM 0 HA ARG B 39 162.310 1.439 19.507 1.00 0.62 H new ATOM 0 HB2 ARG B 39 163.605 0.061 17.112 1.00 0.93 H new ATOM 0 HB3 ARG B 39 162.330 -0.585 18.126 1.00 0.93 H new ATOM 0 HG2 ARG B 39 160.690 0.832 17.191 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.878 1.950 16.550 1.00 1.15 H new ATOM 0 HD2 ARG B 39 160.773 0.406 14.845 1.00 1.41 H new ATOM 0 HD3 ARG B 39 162.524 0.456 14.808 1.00 1.41 H new ATOM 0 HE ARG B 39 160.832 -1.799 15.750 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.080 -0.467 15.204 1.00 2.06 H new ATOM 0 HH12 ARG B 39 164.863 -2.046 15.330 1.00 2.06 H new ATOM 0 HH21 ARG B 39 161.866 -3.806 15.913 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.619 -3.920 15.728 1.00 2.18 H new ATOM 1401 N VAL B 40 164.380 1.003 20.864 1.00 0.43 N ATOM 1402 CA VAL B 40 165.397 0.480 21.769 1.00 0.56 C ATOM 1403 C VAL B 40 164.764 0.193 23.135 1.00 0.71 C ATOM 1404 O VAL B 40 165.152 0.770 24.155 1.00 1.15 O ATOM 1405 CB VAL B 40 166.584 1.461 21.931 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.640 0.883 22.864 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.192 1.798 20.575 1.00 0.65 C ATOM 0 H VAL B 40 163.742 1.667 21.302 1.00 0.43 H new ATOM 0 HA VAL B 40 165.790 -0.441 21.339 1.00 0.56 H new ATOM 0 HB VAL B 40 166.205 2.382 22.375 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.464 1.589 22.963 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.199 0.701 23.844 1.00 1.04 H new ATOM 0 HG13 VAL B 40 168.014 -0.055 22.454 1.00 1.04 H new ATOM 0 HG21 VAL B 40 168.024 2.489 20.711 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.552 0.885 20.101 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.435 2.262 19.942 1.00 0.65 H new ATOM 1417 N MET B 41 163.767 -0.694 23.136 1.00 0.60 N ATOM 1418 CA MET B 41 163.051 -1.061 24.359 1.00 0.74 C ATOM 1419 C MET B 41 162.784 -2.565 24.410 1.00 0.91 C ATOM 1420 O MET B 41 162.227 -3.105 23.429 1.00 0.91 O ATOM 1421 CB MET B 41 161.726 -0.287 24.462 1.00 0.73 C ATOM 1422 CG MET B 41 161.114 0.083 23.115 1.00 0.74 C ATOM 1423 SD MET B 41 159.312 0.015 23.118 1.00 0.86 S ATOM 1424 CE MET B 41 158.968 0.084 21.360 1.00 0.70 C ATOM 1425 OXT MET B 41 163.137 -3.192 25.430 1.00 1.13 O ATOM 0 H MET B 41 163.436 -1.174 22.299 1.00 0.60 H new ATOM 0 HA MET B 41 163.682 -0.796 25.207 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.009 -0.888 25.022 1.00 0.73 H new ATOM 0 HB3 MET B 41 161.894 0.625 25.035 1.00 0.73 H new ATOM 0 HG2 MET B 41 161.434 1.088 22.841 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.496 -0.593 22.350 1.00 0.74 H new ATOM 0 HE1 MET B 41 157.891 0.051 21.199 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.369 1.010 20.947 1.00 0.70 H new ATOM 0 HE3 MET B 41 159.435 -0.767 20.864 1.00 0.70 H new