USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl 137:sc= -4.25 (180deg=-6.01!) USER MOD Set 1.2: A 72 GLN : amide:sc= -1.47 K(o=-5.7,f=-4.7) USER MOD Set 2.1: A 7 SER OG : rot 58:sc= 0.00209 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.261 K(o=-0.26,f=-3!) USER MOD Set 3.1: A 1 MET N :NH3+ 141:sc= -0.332 (180deg=-1.86!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 173:sc= -0.218 (180deg=-0.118) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 69:sc= 0.338 USER MOD Single : A 13 LYS NZ :NH3+ -123:sc= -0.145 (180deg=-0.501) USER MOD Single : A 19 THR OG1 : rot -20:sc= 0 USER MOD Single : A 21 MET CE :methyl 163:sc= -4.94! (180deg=-6.74!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -78:sc= 0.562 USER MOD Single : A 32 GLN : amide:sc= 0.344 K(o=0.34,f=-3.4!) USER MOD Single : A 40 SER OG : rot 74:sc= 0.458 USER MOD Single : A 41 SER OG : rot -117:sc= -4.85! USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -0.936 (180deg=-2.35!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.33! C(o=-3.3!,f=-6.8!) USER MOD Single : A 57 CYS SG : rot 20:sc= -0.253 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 56:sc= 1.13 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.803 K(o=-0.8,f=-4.9!) USER MOD Single : A 82 SER OG : rot 83:sc= 1.04 USER MOD Single : A 83 MET CE :methyl 152:sc= -6.42! (180deg=-8.74!) USER MOD Single : A 89 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.905 2.409 -6.158 1.00 0.00 N ATOM 2 CA MET A 1 9.053 3.546 -6.446 1.00 0.00 C ATOM 3 C MET A 1 8.598 4.193 -5.146 1.00 0.00 C ATOM 4 O MET A 1 8.697 5.414 -5.023 1.00 0.00 O ATOM 5 CB MET A 1 7.854 3.085 -7.268 1.00 0.00 C ATOM 6 CG MET A 1 8.211 3.115 -8.751 1.00 0.00 C ATOM 7 SD MET A 1 9.389 1.834 -9.249 1.00 0.00 S ATOM 8 CE MET A 1 10.793 2.886 -9.691 1.00 0.00 C ATOM 0 H1 MET A 1 9.695 1.640 -6.826 1.00 0.00 H new ATOM 0 H2 MET A 1 10.902 2.689 -6.255 1.00 0.00 H new ATOM 0 H3 MET A 1 9.730 2.082 -5.186 1.00 0.00 H new ATOM 0 HA MET A 1 9.610 4.286 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.564 2.076 -6.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.998 3.732 -7.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.298 3.003 -9.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.628 4.092 -8.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.623 2.264 -10.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.501 3.564 -10.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.102 3.465 -8.821 1.00 0.00 H new ATOM 20 N LEU A 2 8.119 3.381 -4.215 1.00 0.00 N ATOM 21 CA LEU A 2 7.658 3.898 -2.938 1.00 0.00 C ATOM 22 C LEU A 2 8.754 3.705 -1.888 1.00 0.00 C ATOM 23 O LEU A 2 9.935 3.628 -2.226 1.00 0.00 O ATOM 24 CB LEU A 2 6.321 3.260 -2.554 1.00 0.00 C ATOM 25 CG LEU A 2 5.239 4.221 -2.055 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.149 4.416 -3.112 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.662 3.750 -0.718 1.00 0.00 C ATOM 0 H LEU A 2 8.040 2.369 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 2 7.467 4.969 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.933 2.726 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.505 2.517 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 2 5.699 5.194 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.393 5.103 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.591 4.828 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.686 3.456 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.896 4.450 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.221 2.761 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.458 3.703 0.025 1.00 0.00 H new ATOM 39 N VAL A 3 8.325 3.631 -0.637 1.00 0.00 N ATOM 40 CA VAL A 3 9.256 3.448 0.463 1.00 0.00 C ATOM 41 C VAL A 3 9.427 1.952 0.739 1.00 0.00 C ATOM 42 O VAL A 3 8.870 1.428 1.701 1.00 0.00 O ATOM 43 CB VAL A 3 8.779 4.230 1.688 1.00 0.00 C ATOM 44 CG1 VAL A 3 9.128 5.715 1.561 1.00 0.00 C ATOM 45 CG2 VAL A 3 7.277 4.038 1.911 1.00 0.00 C ATOM 0 H VAL A 3 7.345 3.694 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 3 10.237 3.845 0.202 1.00 0.00 H new ATOM 0 HB VAL A 3 9.301 3.836 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.778 6.248 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.208 5.829 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.647 6.127 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.964 4.605 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.731 4.392 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.065 2.980 2.068 1.00 0.00 H new ATOM 55 N ALA A 4 10.198 1.309 -0.125 1.00 0.00 N ATOM 56 CA ALA A 4 10.449 -0.116 0.013 1.00 0.00 C ATOM 57 C ALA A 4 9.164 -0.814 0.461 1.00 0.00 C ATOM 58 O ALA A 4 9.201 -1.707 1.307 1.00 0.00 O ATOM 59 CB ALA A 4 11.605 -0.339 0.991 1.00 0.00 C ATOM 0 H ALA A 4 10.657 1.748 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 4 10.743 -0.548 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.793 -1.408 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.501 0.152 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.345 0.079 1.963 1.00 0.00 H new ATOM 65 N LYS A 5 8.058 -0.383 -0.128 1.00 0.00 N ATOM 66 CA LYS A 5 6.763 -0.956 0.200 1.00 0.00 C ATOM 67 C LYS A 5 6.122 -1.517 -1.071 1.00 0.00 C ATOM 68 O LYS A 5 6.631 -1.307 -2.170 1.00 0.00 O ATOM 69 CB LYS A 5 5.892 0.071 0.927 1.00 0.00 C ATOM 70 CG LYS A 5 6.370 0.277 2.366 1.00 0.00 C ATOM 71 CD LYS A 5 5.400 -0.359 3.363 1.00 0.00 C ATOM 72 CE LYS A 5 4.041 0.342 3.328 1.00 0.00 C ATOM 73 NZ LYS A 5 4.004 1.450 4.309 1.00 0.00 N ATOM 0 H LYS A 5 8.032 0.356 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 5 6.879 -1.789 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.920 1.020 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.855 -0.264 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.361 -0.159 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.463 1.343 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.274 -1.416 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.817 -0.302 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.850 0.728 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.250 -0.374 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.075 1.915 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.165 1.073 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.746 2.141 4.080 1.00 0.00 H new ATOM 87 N SER A 6 5.015 -2.218 -0.877 1.00 0.00 N ATOM 88 CA SER A 6 4.299 -2.811 -1.993 1.00 0.00 C ATOM 89 C SER A 6 2.831 -3.025 -1.620 1.00 0.00 C ATOM 90 O SER A 6 2.464 -2.923 -0.450 1.00 0.00 O ATOM 91 CB SER A 6 4.938 -4.136 -2.416 1.00 0.00 C ATOM 92 OG SER A 6 4.114 -4.859 -3.326 1.00 0.00 O ATOM 0 H SER A 6 4.596 -2.389 0.037 1.00 0.00 H new ATOM 0 HA SER A 6 4.356 -2.125 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.905 -3.941 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.125 -4.747 -1.533 1.00 0.00 H new ATOM 0 HG SER A 6 4.086 -4.390 -4.186 1.00 0.00 H new ATOM 98 N SER A 7 2.033 -3.319 -2.635 1.00 0.00 N ATOM 99 CA SER A 7 0.613 -3.548 -2.428 1.00 0.00 C ATOM 100 C SER A 7 0.198 -4.875 -3.067 1.00 0.00 C ATOM 101 O SER A 7 0.691 -5.234 -4.135 1.00 0.00 O ATOM 102 CB SER A 7 -0.220 -2.400 -3.001 1.00 0.00 C ATOM 103 OG SER A 7 -1.548 -2.809 -3.318 1.00 0.00 O ATOM 0 H SER A 7 2.342 -3.404 -3.603 1.00 0.00 H new ATOM 0 HA SER A 7 0.428 -3.595 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.255 -1.583 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.264 -2.014 -3.898 1.00 0.00 H new ATOM 0 HG SER A 7 -1.980 -3.170 -2.515 1.00 0.00 H new ATOM 109 N ILE A 8 -0.703 -5.566 -2.386 1.00 0.00 N ATOM 110 CA ILE A 8 -1.191 -6.846 -2.875 1.00 0.00 C ATOM 111 C ILE A 8 -2.720 -6.849 -2.848 1.00 0.00 C ATOM 112 O ILE A 8 -3.325 -6.686 -1.789 1.00 0.00 O ATOM 113 CB ILE A 8 -0.559 -7.996 -2.087 1.00 0.00 C ATOM 114 CG1 ILE A 8 0.966 -7.975 -2.214 1.00 0.00 C ATOM 115 CG2 ILE A 8 -1.152 -9.341 -2.510 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.595 -7.096 -1.131 1.00 0.00 C ATOM 0 H ILE A 8 -1.109 -5.265 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.891 -6.997 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.795 -7.858 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.355 -8.990 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.247 -7.602 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.686 -10.141 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.226 -9.339 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.967 -9.502 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.679 -7.099 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.223 -6.076 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.332 -7.486 -0.148 1.00 0.00 H new ATOM 128 N LEU A 9 -3.300 -7.037 -4.024 1.00 0.00 N ATOM 129 CA LEU A 9 -4.748 -7.063 -4.148 1.00 0.00 C ATOM 130 C LEU A 9 -5.221 -8.516 -4.237 1.00 0.00 C ATOM 131 O LEU A 9 -5.178 -9.121 -5.307 1.00 0.00 O ATOM 132 CB LEU A 9 -5.200 -6.195 -5.323 1.00 0.00 C ATOM 133 CG LEU A 9 -6.690 -5.848 -5.366 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.034 -4.780 -4.327 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.116 -5.433 -6.776 1.00 0.00 C ATOM 0 H LEU A 9 -2.794 -7.173 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.215 -6.629 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.631 -5.265 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.940 -6.708 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.256 -6.743 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.099 -4.552 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.790 -5.149 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.459 -3.877 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.179 -5.192 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.545 -4.558 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.928 -6.253 -7.469 1.00 0.00 H new ATOM 147 N LEU A 10 -5.662 -9.032 -3.100 1.00 0.00 N ATOM 148 CA LEU A 10 -6.143 -10.402 -3.036 1.00 0.00 C ATOM 149 C LEU A 10 -7.664 -10.412 -3.196 1.00 0.00 C ATOM 150 O LEU A 10 -8.358 -9.574 -2.620 1.00 0.00 O ATOM 151 CB LEU A 10 -5.655 -11.083 -1.756 1.00 0.00 C ATOM 152 CG LEU A 10 -4.188 -10.844 -1.387 1.00 0.00 C ATOM 153 CD1 LEU A 10 -4.053 -9.672 -0.413 1.00 0.00 C ATOM 154 CD2 LEU A 10 -3.546 -12.120 -0.841 1.00 0.00 C ATOM 0 H LEU A 10 -5.697 -8.526 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.732 -10.988 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.277 -10.744 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.814 -12.157 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.646 -10.574 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.002 -9.523 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.449 -8.768 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.612 -9.889 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.505 -11.923 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.082 -12.444 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.593 -12.903 -1.597 1.00 0.00 H new ATOM 166 N ASP A 11 -8.139 -11.367 -3.980 1.00 0.00 N ATOM 167 CA ASP A 11 -9.567 -11.498 -4.223 1.00 0.00 C ATOM 168 C ASP A 11 -10.042 -12.864 -3.724 1.00 0.00 C ATOM 169 O ASP A 11 -9.929 -13.861 -4.434 1.00 0.00 O ATOM 170 CB ASP A 11 -9.882 -11.403 -5.717 1.00 0.00 C ATOM 171 CG ASP A 11 -11.361 -11.201 -6.054 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.908 -10.100 -5.895 1.00 0.00 O ATOM 173 OD2 ASP A 11 -11.965 -12.249 -6.502 1.00 0.00 O ATOM 0 H ASP A 11 -7.561 -12.059 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.075 -10.690 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.312 -10.577 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.535 -12.314 -6.205 1.00 0.00 H new ATOM 178 N VAL A 12 -10.564 -12.864 -2.506 1.00 0.00 N ATOM 179 CA VAL A 12 -11.057 -14.092 -1.905 1.00 0.00 C ATOM 180 C VAL A 12 -12.497 -14.336 -2.360 1.00 0.00 C ATOM 181 O VAL A 12 -13.255 -13.389 -2.568 1.00 0.00 O ATOM 182 CB VAL A 12 -10.915 -14.022 -0.382 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.227 -15.376 0.260 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.521 -13.534 0.016 1.00 0.00 C ATOM 0 H VAL A 12 -10.656 -12.034 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.463 -14.944 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.641 -13.300 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.119 -15.299 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.249 -15.667 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.536 -16.127 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.446 -13.493 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.770 -14.221 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.352 -12.539 -0.397 1.00 0.00 H new ATOM 194 N LYS A 13 -12.831 -15.609 -2.503 1.00 0.00 N ATOM 195 CA LYS A 13 -14.167 -15.990 -2.930 1.00 0.00 C ATOM 196 C LYS A 13 -14.919 -16.607 -1.749 1.00 0.00 C ATOM 197 O LYS A 13 -14.406 -17.504 -1.083 1.00 0.00 O ATOM 198 CB LYS A 13 -14.098 -16.899 -4.158 1.00 0.00 C ATOM 199 CG LYS A 13 -15.090 -16.447 -5.231 1.00 0.00 C ATOM 200 CD LYS A 13 -14.358 -15.914 -6.465 1.00 0.00 C ATOM 201 CE LYS A 13 -15.332 -15.685 -7.624 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.018 -14.382 -7.474 1.00 0.00 N ATOM 0 H LYS A 13 -12.199 -16.391 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.732 -15.112 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.087 -16.890 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.315 -17.927 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.729 -17.283 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.741 -15.672 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.855 -14.979 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.586 -16.621 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.793 -15.712 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.068 -16.489 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.047 -14.531 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.721 -13.934 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.769 -13.764 -8.273 1.00 0.00 H new ATOM 216 N PRO A 14 -16.155 -16.088 -1.521 1.00 0.00 N ATOM 217 CA PRO A 14 -16.983 -16.579 -0.432 1.00 0.00 C ATOM 218 C PRO A 14 -17.582 -17.945 -0.772 1.00 0.00 C ATOM 219 O PRO A 14 -17.881 -18.225 -1.932 1.00 0.00 O ATOM 220 CB PRO A 14 -18.037 -15.503 -0.225 1.00 0.00 C ATOM 221 CG PRO A 14 -18.046 -14.676 -1.501 1.00 0.00 C ATOM 222 CD PRO A 14 -16.795 -15.025 -2.290 1.00 0.00 C ATOM 0 HA PRO A 14 -16.418 -16.746 0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.016 -15.946 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.798 -14.884 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.939 -14.889 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.065 -13.612 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.043 -15.359 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.138 -14.161 -2.394 1.00 0.00 H new ATOM 230 N TRP A 15 -17.738 -18.759 0.262 1.00 0.00 N ATOM 231 CA TRP A 15 -18.295 -20.090 0.088 1.00 0.00 C ATOM 232 C TRP A 15 -19.660 -19.946 -0.589 1.00 0.00 C ATOM 233 O TRP A 15 -20.018 -20.751 -1.447 1.00 0.00 O ATOM 234 CB TRP A 15 -18.365 -20.834 1.423 1.00 0.00 C ATOM 235 CG TRP A 15 -17.277 -21.894 1.603 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.517 -22.122 2.683 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.856 -22.868 0.625 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.641 -23.166 2.474 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.853 -23.635 1.183 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.307 -23.095 -0.687 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.216 -24.679 0.500 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.662 -24.140 -1.356 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.650 -24.922 -0.809 1.00 0.00 C ATOM 0 H TRP A 15 -17.489 -18.523 1.222 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.652 -20.697 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.291 -20.110 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.341 -21.312 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.583 -21.559 3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.962 -23.528 3.144 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.091 -22.508 -1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.433 -25.265 0.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.971 -24.355 -2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.201 -25.713 -1.391 1.00 0.00 H new ATOM 254 N ASP A 16 -20.383 -18.916 -0.178 1.00 0.00 N ATOM 255 CA ASP A 16 -21.700 -18.657 -0.734 1.00 0.00 C ATOM 256 C ASP A 16 -22.233 -17.335 -0.178 1.00 0.00 C ATOM 257 O ASP A 16 -21.604 -16.722 0.685 1.00 0.00 O ATOM 258 CB ASP A 16 -22.687 -19.762 -0.352 1.00 0.00 C ATOM 259 CG ASP A 16 -22.761 -20.930 -1.337 1.00 0.00 C ATOM 260 OD1 ASP A 16 -23.153 -20.618 -2.526 1.00 0.00 O ATOM 261 OD2 ASP A 16 -22.459 -22.081 -0.986 1.00 0.00 O ATOM 0 H ASP A 16 -20.082 -18.250 0.534 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.605 -18.617 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.413 -20.150 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.680 -19.324 -0.255 1.00 0.00 H new ATOM 266 N ASP A 17 -23.386 -16.934 -0.693 1.00 0.00 N ATOM 267 CA ASP A 17 -24.011 -15.696 -0.258 1.00 0.00 C ATOM 268 C ASP A 17 -24.034 -15.652 1.271 1.00 0.00 C ATOM 269 O ASP A 17 -23.993 -14.576 1.865 1.00 0.00 O ATOM 270 CB ASP A 17 -25.454 -15.603 -0.757 1.00 0.00 C ATOM 271 CG ASP A 17 -26.118 -16.944 -1.070 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.109 -17.797 -0.102 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.618 -17.165 -2.183 1.00 0.00 O ATOM 0 H ASP A 17 -23.904 -17.445 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.435 -14.865 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.050 -15.087 -0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.472 -14.987 -1.656 1.00 0.00 H new ATOM 278 N GLU A 18 -24.102 -16.835 1.865 1.00 0.00 N ATOM 279 CA GLU A 18 -24.132 -16.945 3.313 1.00 0.00 C ATOM 280 C GLU A 18 -22.902 -16.269 3.923 1.00 0.00 C ATOM 281 O GLU A 18 -23.025 -15.466 4.846 1.00 0.00 O ATOM 282 CB GLU A 18 -24.228 -18.408 3.750 1.00 0.00 C ATOM 283 CG GLU A 18 -22.941 -19.166 3.412 1.00 0.00 C ATOM 284 CD GLU A 18 -23.135 -20.675 3.577 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.495 -21.137 4.670 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.897 -21.373 2.519 1.00 0.00 O ATOM 0 H GLU A 18 -24.137 -17.726 1.369 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.022 -16.432 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.414 -18.460 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.075 -18.884 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.642 -18.944 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.133 -18.826 4.061 1.00 0.00 H new ATOM 293 N THR A 19 -21.745 -16.619 3.381 1.00 0.00 N ATOM 294 CA THR A 19 -20.494 -16.057 3.860 1.00 0.00 C ATOM 295 C THR A 19 -20.673 -14.578 4.207 1.00 0.00 C ATOM 296 O THR A 19 -20.926 -13.756 3.329 1.00 0.00 O ATOM 297 CB THR A 19 -19.425 -16.305 2.793 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.158 -17.702 2.887 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.089 -15.646 3.140 1.00 0.00 C ATOM 0 H THR A 19 -21.648 -17.285 2.615 1.00 0.00 H new ATOM 0 HA THR A 19 -20.171 -16.539 4.783 1.00 0.00 H new ATOM 0 HB THR A 19 -19.777 -15.929 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.453 -18.033 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.366 -15.852 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.228 -14.569 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.720 -16.047 4.084 1.00 0.00 H new ATOM 307 N ASP A 20 -20.534 -14.285 5.492 1.00 0.00 N ATOM 308 CA ASP A 20 -20.677 -12.919 5.968 1.00 0.00 C ATOM 309 C ASP A 20 -19.650 -12.029 5.265 1.00 0.00 C ATOM 310 O ASP A 20 -18.478 -12.012 5.641 1.00 0.00 O ATOM 311 CB ASP A 20 -20.427 -12.832 7.474 1.00 0.00 C ATOM 312 CG ASP A 20 -21.667 -12.530 8.320 1.00 0.00 C ATOM 313 OD1 ASP A 20 -21.983 -11.282 8.397 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.298 -13.441 8.874 1.00 0.00 O ATOM 0 H ASP A 20 -20.324 -14.970 6.218 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.694 -12.591 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.997 -13.775 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.682 -12.058 7.659 1.00 0.00 H new ATOM 319 N MET A 21 -20.126 -11.311 4.259 1.00 0.00 N ATOM 320 CA MET A 21 -19.263 -10.421 3.501 1.00 0.00 C ATOM 321 C MET A 21 -18.825 -9.227 4.351 1.00 0.00 C ATOM 322 O MET A 21 -17.859 -8.543 4.016 1.00 0.00 O ATOM 323 CB MET A 21 -20.009 -9.919 2.262 1.00 0.00 C ATOM 324 CG MET A 21 -20.561 -11.088 1.444 1.00 0.00 C ATOM 325 SD MET A 21 -19.225 -12.149 0.919 1.00 0.00 S ATOM 326 CE MET A 21 -18.843 -11.408 -0.659 1.00 0.00 C ATOM 0 H MET A 21 -21.098 -11.327 3.951 1.00 0.00 H new ATOM 0 HA MET A 21 -18.374 -10.976 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.826 -9.265 2.565 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.336 -9.324 1.644 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.274 -11.656 2.041 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.101 -10.712 0.575 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.858 -11.739 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.591 -11.709 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.847 -10.322 -0.562 1.00 0.00 H new ATOM 336 N ALA A 22 -19.556 -9.013 5.435 1.00 0.00 N ATOM 337 CA ALA A 22 -19.254 -7.914 6.337 1.00 0.00 C ATOM 338 C ALA A 22 -18.150 -8.342 7.305 1.00 0.00 C ATOM 339 O ALA A 22 -17.284 -7.544 7.658 1.00 0.00 O ATOM 340 CB ALA A 22 -20.530 -7.482 7.061 1.00 0.00 C ATOM 0 H ALA A 22 -20.357 -9.582 5.709 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.887 -7.051 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.303 -6.658 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.271 -7.158 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.926 -8.322 7.632 1.00 0.00 H new ATOM 346 N LYS A 23 -18.218 -9.602 7.709 1.00 0.00 N ATOM 347 CA LYS A 23 -17.235 -10.147 8.630 1.00 0.00 C ATOM 348 C LYS A 23 -15.946 -10.458 7.868 1.00 0.00 C ATOM 349 O LYS A 23 -14.854 -10.117 8.324 1.00 0.00 O ATOM 350 CB LYS A 23 -17.812 -11.350 9.380 1.00 0.00 C ATOM 351 CG LYS A 23 -17.115 -11.541 10.729 1.00 0.00 C ATOM 352 CD LYS A 23 -18.118 -11.457 11.881 1.00 0.00 C ATOM 353 CE LYS A 23 -17.400 -11.322 13.225 1.00 0.00 C ATOM 354 NZ LYS A 23 -16.907 -12.641 13.684 1.00 0.00 N ATOM 0 H LYS A 23 -18.939 -10.261 7.415 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.984 -9.414 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.881 -11.207 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.696 -12.250 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.613 -12.508 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.345 -10.780 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.779 -10.604 11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.745 -12.349 11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.565 -10.628 13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.080 -10.903 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.422 -12.532 14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.710 -13.293 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.242 -13.026 12.983 1.00 0.00 H new ATOM 368 N LEU A 24 -16.113 -11.102 6.723 1.00 0.00 N ATOM 369 CA LEU A 24 -14.976 -11.462 5.894 1.00 0.00 C ATOM 370 C LEU A 24 -14.142 -10.211 5.608 1.00 0.00 C ATOM 371 O LEU A 24 -12.914 -10.269 5.593 1.00 0.00 O ATOM 372 CB LEU A 24 -15.441 -12.192 4.633 1.00 0.00 C ATOM 373 CG LEU A 24 -14.653 -13.447 4.253 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.404 -14.272 3.207 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.238 -13.088 3.794 1.00 0.00 C ATOM 0 H LEU A 24 -17.019 -11.384 6.350 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.329 -12.164 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.487 -12.470 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.399 -11.494 3.797 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.554 -14.070 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.821 -15.158 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.371 -14.576 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.556 -13.671 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.699 -13.998 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.293 -12.433 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.713 -12.577 4.601 1.00 0.00 H new ATOM 387 N GLU A 25 -14.844 -9.109 5.385 1.00 0.00 N ATOM 388 CA GLU A 25 -14.184 -7.847 5.099 1.00 0.00 C ATOM 389 C GLU A 25 -13.597 -7.253 6.381 1.00 0.00 C ATOM 390 O GLU A 25 -12.385 -7.073 6.488 1.00 0.00 O ATOM 391 CB GLU A 25 -15.146 -6.864 4.430 1.00 0.00 C ATOM 392 CG GLU A 25 -14.418 -5.590 4.000 1.00 0.00 C ATOM 393 CD GLU A 25 -14.871 -5.143 2.608 1.00 0.00 C ATOM 394 OE1 GLU A 25 -14.643 -5.861 1.623 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.478 -4.006 2.571 1.00 0.00 O ATOM 0 H GLU A 25 -15.863 -9.065 5.397 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.368 -8.036 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.606 -7.335 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.951 -6.612 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.610 -4.796 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.342 -5.765 3.998 1.00 0.00 H new ATOM 402 N GLU A 26 -14.485 -6.964 7.322 1.00 0.00 N ATOM 403 CA GLU A 26 -14.069 -6.394 8.593 1.00 0.00 C ATOM 404 C GLU A 26 -12.941 -7.228 9.205 1.00 0.00 C ATOM 405 O GLU A 26 -11.974 -6.679 9.729 1.00 0.00 O ATOM 406 CB GLU A 26 -15.253 -6.282 9.556 1.00 0.00 C ATOM 407 CG GLU A 26 -15.354 -7.520 10.448 1.00 0.00 C ATOM 408 CD GLU A 26 -16.631 -7.486 11.291 1.00 0.00 C ATOM 409 OE1 GLU A 26 -17.723 -7.247 10.754 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.460 -7.719 12.548 1.00 0.00 O ATOM 0 H GLU A 26 -15.490 -7.114 7.230 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.693 -5.387 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.140 -5.392 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.177 -6.161 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.345 -8.419 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.484 -7.573 11.102 1.00 0.00 H new ATOM 417 N CYS A 27 -13.105 -8.539 9.119 1.00 0.00 N ATOM 418 CA CYS A 27 -12.112 -9.454 9.659 1.00 0.00 C ATOM 419 C CYS A 27 -10.774 -9.169 8.974 1.00 0.00 C ATOM 420 O CYS A 27 -9.766 -8.944 9.643 1.00 0.00 O ATOM 421 CB CYS A 27 -12.539 -10.914 9.492 1.00 0.00 C ATOM 422 SG CYS A 27 -11.283 -12.022 10.231 1.00 0.00 S ATOM 0 H CYS A 27 -13.910 -8.990 8.684 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.011 -9.294 10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.505 -11.076 9.970 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.664 -11.146 8.434 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.656 -13.259 10.086 1.00 0.00 H new ATOM 428 N VAL A 28 -10.807 -9.188 7.650 1.00 0.00 N ATOM 429 CA VAL A 28 -9.609 -8.933 6.868 1.00 0.00 C ATOM 430 C VAL A 28 -8.879 -7.718 7.442 1.00 0.00 C ATOM 431 O VAL A 28 -7.729 -7.823 7.865 1.00 0.00 O ATOM 432 CB VAL A 28 -9.973 -8.770 5.391 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.804 -8.179 4.600 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.426 -10.101 4.788 1.00 0.00 C ATOM 0 H VAL A 28 -11.644 -9.376 7.099 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.926 -9.780 6.929 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.808 -8.072 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.089 -8.074 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.547 -7.201 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.942 -8.841 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.679 -9.957 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.621 -10.831 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.302 -10.465 5.325 1.00 0.00 H new ATOM 444 N ARG A 29 -9.577 -6.592 7.437 1.00 0.00 N ATOM 445 CA ARG A 29 -9.009 -5.357 7.953 1.00 0.00 C ATOM 446 C ARG A 29 -8.426 -5.583 9.348 1.00 0.00 C ATOM 447 O ARG A 29 -7.329 -5.114 9.649 1.00 0.00 O ATOM 448 CB ARG A 29 -10.066 -4.252 8.022 1.00 0.00 C ATOM 449 CG ARG A 29 -9.591 -2.993 7.293 1.00 0.00 C ATOM 450 CD ARG A 29 -10.756 -2.295 6.588 1.00 0.00 C ATOM 451 NE ARG A 29 -10.301 -1.010 6.012 1.00 0.00 N ATOM 452 CZ ARG A 29 -9.998 0.074 6.740 1.00 0.00 C ATOM 453 NH1 ARG A 29 -10.098 0.033 8.075 1.00 0.00 N ATOM 454 NH2 ARG A 29 -9.594 1.198 6.132 1.00 0.00 N ATOM 0 H ARG A 29 -10.530 -6.508 7.084 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.218 -5.046 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.996 -4.605 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.281 -4.014 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.129 -2.309 8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.826 -3.258 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.152 -2.936 5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.567 -2.120 7.295 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.212 -0.945 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.405 -0.823 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.867 0.858 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.517 1.229 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.363 2.023 6.686 1.00 0.00 H new ATOM 468 N SER A 30 -9.185 -6.300 10.163 1.00 0.00 N ATOM 469 CA SER A 30 -8.757 -6.595 11.521 1.00 0.00 C ATOM 470 C SER A 30 -7.310 -7.094 11.516 1.00 0.00 C ATOM 471 O SER A 30 -6.480 -6.611 12.285 1.00 0.00 O ATOM 472 CB SER A 30 -9.673 -7.629 12.176 1.00 0.00 C ATOM 473 OG SER A 30 -9.052 -8.908 12.271 1.00 0.00 O ATOM 0 H SER A 30 -10.095 -6.686 9.910 1.00 0.00 H new ATOM 0 HA SER A 30 -8.817 -5.677 12.105 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.952 -7.287 13.172 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.594 -7.715 11.599 1.00 0.00 H new ATOM 0 HG SER A 30 -9.088 -9.355 11.400 1.00 0.00 H new ATOM 479 N ILE A 31 -7.052 -8.055 10.641 1.00 0.00 N ATOM 480 CA ILE A 31 -5.721 -8.625 10.526 1.00 0.00 C ATOM 481 C ILE A 31 -4.686 -7.498 10.535 1.00 0.00 C ATOM 482 O ILE A 31 -4.847 -6.497 9.838 1.00 0.00 O ATOM 483 CB ILE A 31 -5.631 -9.534 9.299 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.595 -10.716 9.420 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.191 -9.991 9.060 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.661 -11.506 8.112 1.00 0.00 C ATOM 0 H ILE A 31 -7.743 -8.453 10.005 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.505 -9.264 11.382 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.936 -8.959 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.272 -11.371 10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.589 -10.354 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.155 -10.636 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.555 -9.121 8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.835 -10.543 9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.353 -12.340 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.007 -10.854 7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.670 -11.888 7.867 1.00 0.00 H new ATOM 498 N GLN A 32 -3.646 -7.699 11.329 1.00 0.00 N ATOM 499 CA GLN A 32 -2.584 -6.712 11.438 1.00 0.00 C ATOM 500 C GLN A 32 -1.217 -7.387 11.306 1.00 0.00 C ATOM 501 O GLN A 32 -1.108 -8.606 11.426 1.00 0.00 O ATOM 502 CB GLN A 32 -2.688 -5.936 12.752 1.00 0.00 C ATOM 503 CG GLN A 32 -2.259 -4.480 12.564 1.00 0.00 C ATOM 504 CD GLN A 32 -1.256 -4.061 13.641 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.104 -4.463 13.642 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.755 -3.232 14.553 1.00 0.00 N ATOM 0 H GLN A 32 -3.515 -8.531 11.904 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.695 -5.997 10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.713 -5.972 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.061 -6.409 13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.813 -4.353 11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.134 -3.831 12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.729 -2.934 14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.164 -2.894 15.312 1.00 0.00 H new ATOM 515 N ALA A 33 -0.208 -6.564 11.061 1.00 0.00 N ATOM 516 CA ALA A 33 1.147 -7.065 10.911 1.00 0.00 C ATOM 517 C ALA A 33 2.124 -5.887 10.899 1.00 0.00 C ATOM 518 O ALA A 33 2.816 -5.661 9.906 1.00 0.00 O ATOM 519 CB ALA A 33 1.240 -7.913 9.642 1.00 0.00 C ATOM 0 H ALA A 33 -0.302 -5.553 10.963 1.00 0.00 H new ATOM 0 HA ALA A 33 1.414 -7.706 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.257 -8.289 9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.549 -8.753 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.981 -7.303 8.777 1.00 0.00 H new ATOM 525 N ASP A 34 2.148 -5.168 12.011 1.00 0.00 N ATOM 526 CA ASP A 34 3.028 -4.019 12.140 1.00 0.00 C ATOM 527 C ASP A 34 3.030 -3.233 10.827 1.00 0.00 C ATOM 528 O ASP A 34 2.214 -2.332 10.638 1.00 0.00 O ATOM 529 CB ASP A 34 4.465 -4.456 12.431 1.00 0.00 C ATOM 530 CG ASP A 34 5.538 -3.420 12.088 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.432 -2.297 12.714 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.430 -3.674 11.265 1.00 0.00 O ATOM 0 H ASP A 34 1.572 -5.359 12.831 1.00 0.00 H new ATOM 0 HA ASP A 34 2.663 -3.406 12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.546 -4.704 13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.671 -5.369 11.873 1.00 0.00 H new ATOM 537 N GLY A 35 3.955 -3.603 9.954 1.00 0.00 N ATOM 538 CA GLY A 35 4.074 -2.944 8.665 1.00 0.00 C ATOM 539 C GLY A 35 2.977 -3.414 7.706 1.00 0.00 C ATOM 540 O GLY A 35 3.223 -3.585 6.512 1.00 0.00 O ATOM 0 H GLY A 35 4.629 -4.351 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.008 -1.864 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.053 -3.154 8.234 1.00 0.00 H new ATOM 544 N LEU A 36 1.792 -3.609 8.263 1.00 0.00 N ATOM 545 CA LEU A 36 0.657 -4.056 7.473 1.00 0.00 C ATOM 546 C LEU A 36 -0.393 -2.945 7.423 1.00 0.00 C ATOM 547 O LEU A 36 -1.047 -2.660 8.425 1.00 0.00 O ATOM 548 CB LEU A 36 0.122 -5.386 8.008 1.00 0.00 C ATOM 549 CG LEU A 36 -1.047 -5.998 7.234 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.616 -7.270 6.504 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.245 -6.243 8.155 1.00 0.00 C ATOM 0 H LEU A 36 1.592 -3.466 9.253 1.00 0.00 H new ATOM 0 HA LEU A 36 0.962 -4.253 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.940 -6.106 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.189 -5.240 9.042 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.365 -5.284 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.466 -7.684 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.182 -7.033 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.256 -8.001 7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.063 -6.678 7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.957 -6.928 8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.570 -5.297 8.589 1.00 0.00 H new ATOM 563 N VAL A 37 -0.523 -2.348 6.248 1.00 0.00 N ATOM 564 CA VAL A 37 -1.483 -1.275 6.054 1.00 0.00 C ATOM 565 C VAL A 37 -2.702 -1.816 5.305 1.00 0.00 C ATOM 566 O VAL A 37 -2.561 -2.565 4.339 1.00 0.00 O ATOM 567 CB VAL A 37 -0.816 -0.099 5.339 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.861 0.875 4.793 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.172 0.617 6.262 1.00 0.00 C ATOM 0 H VAL A 37 0.021 -2.587 5.419 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.833 -0.898 7.015 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.255 -0.497 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.360 1.702 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.507 0.356 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.462 1.262 5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.632 1.449 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.356 0.995 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.946 -0.082 6.579 1.00 0.00 H new ATOM 579 N TRP A 38 -3.873 -1.418 5.780 1.00 0.00 N ATOM 580 CA TRP A 38 -5.118 -1.854 5.168 1.00 0.00 C ATOM 581 C TRP A 38 -5.708 -0.668 4.401 1.00 0.00 C ATOM 582 O TRP A 38 -6.617 0.001 4.890 1.00 0.00 O ATOM 583 CB TRP A 38 -6.074 -2.424 6.217 1.00 0.00 C ATOM 584 CG TRP A 38 -5.877 -3.916 6.494 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.727 -4.523 7.678 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.815 -4.971 5.511 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.573 -5.886 7.532 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.629 -6.168 6.173 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.913 -4.916 4.109 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.524 -7.399 5.515 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.806 -6.156 3.467 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.618 -7.369 4.119 1.00 0.00 C ATOM 0 H TRP A 38 -3.987 -0.798 6.582 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.939 -2.668 4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.946 -1.872 7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.100 -2.259 5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.727 -4.010 8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.442 -6.563 8.284 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.059 -3.991 3.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.378 -8.322 6.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.874 -6.171 2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.545 -8.284 3.551 1.00 0.00 H new ATOM 603 N GLY A 39 -5.165 -0.444 3.214 1.00 0.00 N ATOM 604 CA GLY A 39 -5.628 0.649 2.376 1.00 0.00 C ATOM 605 C GLY A 39 -7.144 0.817 2.479 1.00 0.00 C ATOM 606 O GLY A 39 -7.630 1.867 2.897 1.00 0.00 O ATOM 0 H GLY A 39 -4.410 -1.000 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.135 1.574 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.349 0.460 1.339 1.00 0.00 H new ATOM 610 N SER A 40 -7.852 -0.235 2.092 1.00 0.00 N ATOM 611 CA SER A 40 -9.305 -0.218 2.137 1.00 0.00 C ATOM 612 C SER A 40 -9.868 -1.326 1.245 1.00 0.00 C ATOM 613 O SER A 40 -9.489 -1.446 0.082 1.00 0.00 O ATOM 614 CB SER A 40 -9.852 1.142 1.702 1.00 0.00 C ATOM 615 OG SER A 40 -10.328 1.905 2.809 1.00 0.00 O ATOM 0 H SER A 40 -7.446 -1.105 1.746 1.00 0.00 H new ATOM 0 HA SER A 40 -9.618 -0.394 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.070 1.700 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.662 0.995 0.988 1.00 0.00 H new ATOM 0 HG SER A 40 -9.566 2.243 3.325 1.00 0.00 H new ATOM 621 N SER A 41 -10.766 -2.110 1.826 1.00 0.00 N ATOM 622 CA SER A 41 -11.385 -3.205 1.099 1.00 0.00 C ATOM 623 C SER A 41 -12.598 -2.694 0.319 1.00 0.00 C ATOM 624 O SER A 41 -13.191 -1.678 0.681 1.00 0.00 O ATOM 625 CB SER A 41 -11.800 -4.331 2.048 1.00 0.00 C ATOM 626 OG SER A 41 -12.658 -3.866 3.086 1.00 0.00 O ATOM 0 H SER A 41 -11.079 -2.008 2.791 1.00 0.00 H new ATOM 0 HA SER A 41 -10.654 -3.608 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.306 -5.113 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.910 -4.781 2.488 1.00 0.00 H new ATOM 0 HG SER A 41 -12.220 -3.993 3.954 1.00 0.00 H new ATOM 632 N LYS A 42 -12.932 -3.422 -0.736 1.00 0.00 N ATOM 633 CA LYS A 42 -14.064 -3.055 -1.570 1.00 0.00 C ATOM 634 C LYS A 42 -14.842 -4.316 -1.950 1.00 0.00 C ATOM 635 O LYS A 42 -14.350 -5.430 -1.775 1.00 0.00 O ATOM 636 CB LYS A 42 -13.598 -2.233 -2.774 1.00 0.00 C ATOM 637 CG LYS A 42 -12.232 -2.712 -3.269 1.00 0.00 C ATOM 638 CD LYS A 42 -12.215 -2.842 -4.793 1.00 0.00 C ATOM 639 CE LYS A 42 -12.258 -1.466 -5.462 1.00 0.00 C ATOM 640 NZ LYS A 42 -13.649 -0.961 -5.519 1.00 0.00 N ATOM 0 H LYS A 42 -12.439 -4.264 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.750 -2.411 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.329 -2.313 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.540 -1.180 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.460 -2.011 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.994 -3.674 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.317 -3.374 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.068 -3.436 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.633 -0.766 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.847 -1.532 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.767 -0.364 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.308 -1.764 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.850 -0.400 -4.667 1.00 0.00 H new ATOM 654 N LEU A 43 -16.044 -4.100 -2.464 1.00 0.00 N ATOM 655 CA LEU A 43 -16.894 -5.205 -2.870 1.00 0.00 C ATOM 656 C LEU A 43 -17.159 -5.114 -4.375 1.00 0.00 C ATOM 657 O LEU A 43 -17.155 -4.024 -4.944 1.00 0.00 O ATOM 658 CB LEU A 43 -18.168 -5.241 -2.023 1.00 0.00 C ATOM 659 CG LEU A 43 -18.134 -6.160 -0.800 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.565 -7.533 -1.163 1.00 0.00 C ATOM 661 CD2 LEU A 43 -17.371 -5.510 0.355 1.00 0.00 C ATOM 0 H LEU A 43 -16.449 -3.175 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.392 -6.156 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.385 -4.228 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.996 -5.549 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.158 -6.315 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.552 -8.167 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.188 -7.994 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.550 -7.417 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.362 -6.185 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.347 -5.305 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.859 -4.576 0.634 1.00 0.00 H new ATOM 673 N VAL A 44 -17.384 -6.273 -4.975 1.00 0.00 N ATOM 674 CA VAL A 44 -17.650 -6.337 -6.403 1.00 0.00 C ATOM 675 C VAL A 44 -18.720 -7.398 -6.670 1.00 0.00 C ATOM 676 O VAL A 44 -18.420 -8.589 -6.715 1.00 0.00 O ATOM 677 CB VAL A 44 -16.349 -6.594 -7.166 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.635 -6.997 -8.614 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.429 -5.373 -7.108 1.00 0.00 C ATOM 0 H VAL A 44 -17.388 -7.175 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.039 -5.385 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.834 -7.424 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.694 -7.174 -9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.234 -7.908 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.181 -6.197 -9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.512 -5.582 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.933 -4.516 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.186 -5.149 -6.069 1.00 0.00 H new ATOM 689 N PRO A 45 -19.979 -6.913 -6.846 1.00 0.00 N ATOM 690 CA PRO A 45 -21.095 -7.806 -7.107 1.00 0.00 C ATOM 691 C PRO A 45 -21.056 -8.324 -8.547 1.00 0.00 C ATOM 692 O PRO A 45 -20.820 -7.559 -9.480 1.00 0.00 O ATOM 693 CB PRO A 45 -22.336 -6.983 -6.806 1.00 0.00 C ATOM 694 CG PRO A 45 -21.891 -5.530 -6.836 1.00 0.00 C ATOM 695 CD PRO A 45 -20.371 -5.507 -6.800 1.00 0.00 C ATOM 0 HA PRO A 45 -21.069 -8.704 -6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.116 -7.168 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.751 -7.244 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.259 -5.037 -7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.301 -4.987 -5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.963 -4.954 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.003 -5.023 -5.895 1.00 0.00 H new ATOM 703 N VAL A 46 -21.292 -9.620 -8.681 1.00 0.00 N ATOM 704 CA VAL A 46 -21.288 -10.251 -9.991 1.00 0.00 C ATOM 705 C VAL A 46 -22.728 -10.544 -10.416 1.00 0.00 C ATOM 706 O VAL A 46 -23.063 -10.444 -11.595 1.00 0.00 O ATOM 707 CB VAL A 46 -20.405 -11.500 -9.967 1.00 0.00 C ATOM 708 CG1 VAL A 46 -20.912 -12.510 -8.936 1.00 0.00 C ATOM 709 CG2 VAL A 46 -20.315 -12.134 -11.357 1.00 0.00 C ATOM 0 H VAL A 46 -21.487 -10.252 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.860 -9.581 -10.737 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.401 -11.195 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.267 -13.388 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.901 -12.055 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.930 -12.807 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.682 -13.020 -11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.312 -12.418 -11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.887 -11.417 -12.057 1.00 0.00 H new ATOM 719 N GLY A 47 -23.540 -10.899 -9.433 1.00 0.00 N ATOM 720 CA GLY A 47 -24.938 -11.207 -9.690 1.00 0.00 C ATOM 721 C GLY A 47 -25.844 -10.563 -8.640 1.00 0.00 C ATOM 722 O GLY A 47 -25.829 -9.346 -8.463 1.00 0.00 O ATOM 0 H GLY A 47 -23.258 -10.981 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.216 -10.851 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.082 -12.287 -9.687 1.00 0.00 H new ATOM 726 N TYR A 48 -26.611 -11.409 -7.968 1.00 0.00 N ATOM 727 CA TYR A 48 -27.523 -10.938 -6.939 1.00 0.00 C ATOM 728 C TYR A 48 -27.517 -11.875 -5.729 1.00 0.00 C ATOM 729 O TYR A 48 -28.198 -12.899 -5.730 1.00 0.00 O ATOM 730 CB TYR A 48 -28.917 -10.951 -7.572 1.00 0.00 C ATOM 731 CG TYR A 48 -29.389 -12.338 -8.008 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.882 -12.911 -9.157 1.00 0.00 C ATOM 733 CD2 TYR A 48 -30.321 -13.019 -7.252 1.00 0.00 C ATOM 734 CE1 TYR A 48 -29.327 -14.217 -9.568 1.00 0.00 C ATOM 735 CE2 TYR A 48 -30.766 -14.326 -7.662 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.247 -14.860 -8.800 1.00 0.00 C ATOM 737 OH TYR A 48 -30.667 -16.094 -9.188 1.00 0.00 O ATOM 0 H TYR A 48 -26.620 -12.418 -8.116 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.230 -9.947 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -29.633 -10.543 -6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -28.918 -10.289 -8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.151 -12.379 -9.748 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -30.717 -12.572 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.939 -14.676 -10.466 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.495 -14.869 -7.079 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.323 -16.434 -8.544 1.00 0.00 H new ATOM 747 N GLY A 49 -26.739 -11.490 -4.728 1.00 0.00 N ATOM 748 CA GLY A 49 -26.635 -12.284 -3.514 1.00 0.00 C ATOM 749 C GLY A 49 -25.173 -12.459 -3.100 1.00 0.00 C ATOM 750 O GLY A 49 -24.818 -12.220 -1.946 1.00 0.00 O ATOM 0 H GLY A 49 -26.175 -10.640 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.189 -11.800 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.091 -13.261 -3.673 1.00 0.00 H new ATOM 754 N ILE A 50 -24.364 -12.878 -4.061 1.00 0.00 N ATOM 755 CA ILE A 50 -22.949 -13.090 -3.809 1.00 0.00 C ATOM 756 C ILE A 50 -22.167 -11.844 -4.233 1.00 0.00 C ATOM 757 O ILE A 50 -22.682 -11.007 -4.973 1.00 0.00 O ATOM 758 CB ILE A 50 -22.470 -14.375 -4.487 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.987 -15.610 -3.747 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.946 -14.386 -4.626 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.902 -16.445 -4.645 1.00 0.00 C ATOM 0 H ILE A 50 -24.661 -13.077 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.770 -13.233 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.885 -14.406 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.145 -16.218 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.531 -15.302 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.632 -15.310 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.629 -13.534 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.490 -14.321 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.255 -17.317 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.755 -15.842 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.348 -16.772 -5.525 1.00 0.00 H new ATOM 773 N LYS A 51 -20.939 -11.760 -3.745 1.00 0.00 N ATOM 774 CA LYS A 51 -20.082 -10.630 -4.064 1.00 0.00 C ATOM 775 C LYS A 51 -18.619 -11.068 -3.986 1.00 0.00 C ATOM 776 O LYS A 51 -18.309 -12.113 -3.415 1.00 0.00 O ATOM 777 CB LYS A 51 -20.416 -9.436 -3.168 1.00 0.00 C ATOM 778 CG LYS A 51 -21.553 -8.605 -3.764 1.00 0.00 C ATOM 779 CD LYS A 51 -22.775 -8.606 -2.842 1.00 0.00 C ATOM 780 CE LYS A 51 -24.028 -9.057 -3.592 1.00 0.00 C ATOM 781 NZ LYS A 51 -25.213 -8.303 -3.124 1.00 0.00 N ATOM 0 H LYS A 51 -20.516 -12.456 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.260 -10.292 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.700 -9.789 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.531 -8.812 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.215 -7.581 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.829 -9.006 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.595 -9.269 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.930 -7.606 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.892 -8.905 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.186 -10.125 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.055 -8.622 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.351 -8.469 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.067 -7.287 -3.292 1.00 0.00 H new ATOM 795 N LYS A 52 -17.756 -10.247 -4.567 1.00 0.00 N ATOM 796 CA LYS A 52 -16.333 -10.536 -4.570 1.00 0.00 C ATOM 797 C LYS A 52 -15.706 -10.009 -3.278 1.00 0.00 C ATOM 798 O LYS A 52 -16.040 -8.914 -2.824 1.00 0.00 O ATOM 799 CB LYS A 52 -15.677 -9.987 -5.839 1.00 0.00 C ATOM 800 CG LYS A 52 -15.086 -11.119 -6.684 1.00 0.00 C ATOM 801 CD LYS A 52 -14.476 -10.575 -7.978 1.00 0.00 C ATOM 802 CE LYS A 52 -14.938 -11.392 -9.186 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.792 -10.603 -10.430 1.00 0.00 N ATOM 0 H LYS A 52 -18.016 -9.381 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.164 -11.613 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.414 -9.437 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.892 -9.280 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.323 -11.645 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.864 -11.845 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.762 -9.531 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.388 -10.601 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.352 -12.308 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.979 -11.688 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.110 -11.171 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.370 -9.741 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.794 -10.342 -10.560 1.00 0.00 H new ATOM 817 N LEU A 53 -14.811 -10.810 -2.722 1.00 0.00 N ATOM 818 CA LEU A 53 -14.135 -10.438 -1.490 1.00 0.00 C ATOM 819 C LEU A 53 -12.738 -9.908 -1.820 1.00 0.00 C ATOM 820 O LEU A 53 -11.739 -10.581 -1.571 1.00 0.00 O ATOM 821 CB LEU A 53 -14.132 -11.609 -0.506 1.00 0.00 C ATOM 822 CG LEU A 53 -14.596 -11.290 0.917 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.498 -10.575 1.706 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.902 -10.493 0.901 1.00 0.00 C ATOM 0 H LEU A 53 -14.537 -11.716 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.672 -9.632 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.770 -12.397 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.121 -12.013 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.798 -12.231 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.855 -10.360 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.616 -11.213 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.240 -9.641 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.210 -10.279 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.750 -9.556 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.677 -11.075 0.403 1.00 0.00 H new ATOM 836 N GLN A 54 -12.712 -8.706 -2.377 1.00 0.00 N ATOM 837 CA GLN A 54 -11.455 -8.077 -2.744 1.00 0.00 C ATOM 838 C GLN A 54 -11.041 -7.056 -1.682 1.00 0.00 C ATOM 839 O GLN A 54 -11.891 -6.390 -1.093 1.00 0.00 O ATOM 840 CB GLN A 54 -11.550 -7.425 -4.124 1.00 0.00 C ATOM 841 CG GLN A 54 -10.443 -6.386 -4.318 1.00 0.00 C ATOM 842 CD GLN A 54 -10.074 -6.246 -5.795 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.299 -5.224 -6.424 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.498 -7.326 -6.314 1.00 0.00 N ATOM 0 H GLN A 54 -13.542 -8.151 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.687 -8.849 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.475 -8.190 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.524 -6.949 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.772 -5.422 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.562 -6.677 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.339 -8.148 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.215 -7.332 -7.294 1.00 0.00 H new ATOM 853 N ILE A 55 -9.736 -6.966 -1.470 1.00 0.00 N ATOM 854 CA ILE A 55 -9.200 -6.038 -0.489 1.00 0.00 C ATOM 855 C ILE A 55 -7.794 -5.610 -0.913 1.00 0.00 C ATOM 856 O ILE A 55 -7.070 -6.380 -1.545 1.00 0.00 O ATOM 857 CB ILE A 55 -9.260 -6.647 0.914 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.999 -7.460 1.214 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.534 -7.475 1.098 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.979 -8.759 0.406 1.00 0.00 C ATOM 0 H ILE A 55 -9.034 -7.520 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.810 -5.135 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.297 -5.833 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.115 -6.867 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.954 -7.689 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.552 -7.897 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.406 -6.837 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.552 -8.282 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.072 -9.318 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.851 -9.360 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.999 -8.526 -0.659 1.00 0.00 H new ATOM 872 N GLN A 56 -7.448 -4.384 -0.549 1.00 0.00 N ATOM 873 CA GLN A 56 -6.141 -3.845 -0.884 1.00 0.00 C ATOM 874 C GLN A 56 -5.336 -3.574 0.388 1.00 0.00 C ATOM 875 O GLN A 56 -5.896 -3.171 1.406 1.00 0.00 O ATOM 876 CB GLN A 56 -6.272 -2.578 -1.731 1.00 0.00 C ATOM 877 CG GLN A 56 -4.911 -1.904 -1.923 1.00 0.00 C ATOM 878 CD GLN A 56 -4.773 -1.341 -3.339 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.623 -1.526 -4.194 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.656 -0.646 -3.538 1.00 0.00 N ATOM 0 H GLN A 56 -8.050 -3.749 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.605 -4.586 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.698 -2.828 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.961 -1.884 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.793 -1.101 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.115 -2.624 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.986 -0.529 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.470 -0.230 -4.450 1.00 0.00 H new ATOM 889 N CYS A 57 -4.035 -3.807 0.288 1.00 0.00 N ATOM 890 CA CYS A 57 -3.148 -3.593 1.418 1.00 0.00 C ATOM 891 C CYS A 57 -1.779 -3.170 0.881 1.00 0.00 C ATOM 892 O CYS A 57 -1.410 -3.526 -0.237 1.00 0.00 O ATOM 893 CB CYS A 57 -3.053 -4.835 2.307 1.00 0.00 C ATOM 894 SG CYS A 57 -3.345 -6.341 1.309 1.00 0.00 S ATOM 0 H CYS A 57 -3.575 -4.142 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.549 -2.803 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.070 -4.883 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.786 -4.774 3.111 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.142 -6.075 0.053 1.00 0.00 H new ATOM 900 N VAL A 58 -1.063 -2.416 1.703 1.00 0.00 N ATOM 901 CA VAL A 58 0.257 -1.941 1.325 1.00 0.00 C ATOM 902 C VAL A 58 1.295 -2.507 2.294 1.00 0.00 C ATOM 903 O VAL A 58 1.658 -1.855 3.272 1.00 0.00 O ATOM 904 CB VAL A 58 0.265 -0.412 1.266 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.549 0.104 0.614 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.971 0.116 0.536 1.00 0.00 C ATOM 0 H VAL A 58 -1.373 -2.122 2.630 1.00 0.00 H new ATOM 0 HA VAL A 58 0.519 -2.293 0.327 1.00 0.00 H new ATOM 0 HB VAL A 58 0.234 -0.037 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.530 1.193 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.410 -0.228 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.623 -0.285 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.940 1.205 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.986 -0.272 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.870 -0.208 1.061 1.00 0.00 H new ATOM 916 N VAL A 59 1.744 -3.717 1.990 1.00 0.00 N ATOM 917 CA VAL A 59 2.734 -4.378 2.822 1.00 0.00 C ATOM 918 C VAL A 59 4.133 -3.913 2.412 1.00 0.00 C ATOM 919 O VAL A 59 4.286 -3.186 1.433 1.00 0.00 O ATOM 920 CB VAL A 59 2.560 -5.896 2.735 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.078 -6.279 2.728 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.277 -6.461 1.507 1.00 0.00 C ATOM 0 H VAL A 59 1.440 -4.256 1.179 1.00 0.00 H new ATOM 0 HA VAL A 59 2.595 -4.107 3.869 1.00 0.00 H new ATOM 0 HB VAL A 59 3.016 -6.336 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.983 -7.363 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.607 -5.925 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.588 -5.822 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.137 -7.541 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.864 -6.010 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.341 -6.235 1.571 1.00 0.00 H new ATOM 932 N GLU A 60 5.117 -4.351 3.183 1.00 0.00 N ATOM 933 CA GLU A 60 6.498 -3.988 2.913 1.00 0.00 C ATOM 934 C GLU A 60 7.098 -4.928 1.866 1.00 0.00 C ATOM 935 O GLU A 60 6.432 -5.851 1.400 1.00 0.00 O ATOM 936 CB GLU A 60 7.328 -3.995 4.198 1.00 0.00 C ATOM 937 CG GLU A 60 7.791 -2.582 4.559 1.00 0.00 C ATOM 938 CD GLU A 60 9.156 -2.277 3.939 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.725 -3.130 3.242 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.625 -1.105 4.204 1.00 0.00 O ATOM 0 H GLU A 60 4.986 -4.954 3.995 1.00 0.00 H new ATOM 0 HA GLU A 60 6.516 -2.974 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.736 -4.408 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.194 -4.644 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.058 -1.855 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.849 -2.480 5.643 1.00 0.00 H new ATOM 947 N ASP A 61 8.351 -4.662 1.528 1.00 0.00 N ATOM 948 CA ASP A 61 9.050 -5.473 0.545 1.00 0.00 C ATOM 949 C ASP A 61 10.097 -6.337 1.253 1.00 0.00 C ATOM 950 O ASP A 61 10.843 -7.069 0.605 1.00 0.00 O ATOM 951 CB ASP A 61 9.774 -4.597 -0.479 1.00 0.00 C ATOM 952 CG ASP A 61 9.776 -5.140 -1.909 1.00 0.00 C ATOM 953 OD1 ASP A 61 9.436 -6.308 -2.149 1.00 0.00 O ATOM 954 OD2 ASP A 61 10.153 -4.298 -2.811 1.00 0.00 O ATOM 0 H ASP A 61 8.901 -3.896 1.917 1.00 0.00 H new ATOM 0 HA ASP A 61 8.312 -6.091 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.311 -3.610 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.806 -4.464 -0.156 1.00 0.00 H new ATOM 959 N ASP A 62 10.117 -6.221 2.573 1.00 0.00 N ATOM 960 CA ASP A 62 11.060 -6.981 3.376 1.00 0.00 C ATOM 961 C ASP A 62 10.497 -7.154 4.788 1.00 0.00 C ATOM 962 O ASP A 62 11.251 -7.347 5.741 1.00 0.00 O ATOM 963 CB ASP A 62 12.401 -6.254 3.487 1.00 0.00 C ATOM 964 CG ASP A 62 13.629 -7.165 3.541 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.531 -8.382 3.325 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.738 -6.571 3.825 1.00 0.00 O ATOM 0 H ASP A 62 9.496 -5.613 3.106 1.00 0.00 H new ATOM 0 HA ASP A 62 11.213 -7.946 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.504 -5.581 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.388 -5.634 4.383 1.00 0.00 H new ATOM 971 N LYS A 63 9.176 -7.080 4.877 1.00 0.00 N ATOM 972 CA LYS A 63 8.504 -7.226 6.157 1.00 0.00 C ATOM 973 C LYS A 63 7.437 -8.317 6.046 1.00 0.00 C ATOM 974 O LYS A 63 7.649 -9.445 6.487 1.00 0.00 O ATOM 975 CB LYS A 63 7.959 -5.878 6.632 1.00 0.00 C ATOM 976 CG LYS A 63 8.252 -5.662 8.119 1.00 0.00 C ATOM 977 CD LYS A 63 9.206 -4.483 8.323 1.00 0.00 C ATOM 978 CE LYS A 63 10.220 -4.785 9.429 1.00 0.00 C ATOM 979 NZ LYS A 63 11.507 -4.108 9.150 1.00 0.00 N ATOM 0 H LYS A 63 8.554 -6.921 4.084 1.00 0.00 H new ATOM 0 HA LYS A 63 9.209 -7.547 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.408 -5.074 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.884 -5.835 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.320 -5.478 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.689 -6.566 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.731 -4.269 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.637 -3.590 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.828 -4.453 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.377 -5.861 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.184 -4.323 9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.887 -4.445 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.355 -3.080 9.102 1.00 0.00 H new ATOM 993 N VAL A 64 6.313 -7.942 5.454 1.00 0.00 N ATOM 994 CA VAL A 64 5.212 -8.873 5.279 1.00 0.00 C ATOM 995 C VAL A 64 5.117 -9.273 3.805 1.00 0.00 C ATOM 996 O VAL A 64 5.713 -8.628 2.944 1.00 0.00 O ATOM 997 CB VAL A 64 3.917 -8.260 5.817 1.00 0.00 C ATOM 998 CG1 VAL A 64 2.766 -9.265 5.750 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.108 -7.739 7.242 1.00 0.00 C ATOM 0 H VAL A 64 6.141 -7.005 5.089 1.00 0.00 H new ATOM 0 HA VAL A 64 5.387 -9.783 5.852 1.00 0.00 H new ATOM 0 HB VAL A 64 3.659 -7.412 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.858 -8.804 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.606 -9.567 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.013 -10.141 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.173 -7.309 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.402 -8.562 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.885 -6.975 7.249 1.00 0.00 H new ATOM 1009 N GLY A 65 4.362 -10.334 3.560 1.00 0.00 N ATOM 1010 CA GLY A 65 4.182 -10.827 2.206 1.00 0.00 C ATOM 1011 C GLY A 65 2.701 -11.066 1.902 1.00 0.00 C ATOM 1012 O GLY A 65 1.974 -10.131 1.569 1.00 0.00 O ATOM 0 H GLY A 65 3.868 -10.866 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.591 -10.108 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.738 -11.755 2.076 1.00 0.00 H new ATOM 1016 N THR A 66 2.299 -12.322 2.028 1.00 0.00 N ATOM 1017 CA THR A 66 0.918 -12.695 1.771 1.00 0.00 C ATOM 1018 C THR A 66 0.626 -14.084 2.342 1.00 0.00 C ATOM 1019 O THR A 66 -0.439 -14.315 2.912 1.00 0.00 O ATOM 1020 CB THR A 66 0.673 -12.592 0.264 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.073 -11.311 0.098 1.00 0.00 O ATOM 1022 CG2 THR A 66 -0.397 -13.571 -0.223 1.00 0.00 C ATOM 0 H THR A 66 2.905 -13.094 2.305 1.00 0.00 H new ATOM 0 HA THR A 66 0.225 -12.020 2.274 1.00 0.00 H new ATOM 0 HB THR A 66 1.605 -12.778 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.660 -10.623 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.532 -13.457 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.084 -14.592 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.339 -13.363 0.285 1.00 0.00 H new ATOM 1030 N ASP A 67 1.592 -14.975 2.167 1.00 0.00 N ATOM 1031 CA ASP A 67 1.452 -16.336 2.657 1.00 0.00 C ATOM 1032 C ASP A 67 0.710 -16.318 3.995 1.00 0.00 C ATOM 1033 O ASP A 67 -0.216 -17.100 4.205 1.00 0.00 O ATOM 1034 CB ASP A 67 2.820 -16.983 2.884 1.00 0.00 C ATOM 1035 CG ASP A 67 3.775 -16.182 3.770 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.419 -15.226 3.315 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.845 -16.581 4.996 1.00 0.00 O ATOM 0 H ASP A 67 2.474 -14.781 1.693 1.00 0.00 H new ATOM 0 HA ASP A 67 0.902 -16.908 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.671 -17.965 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.295 -17.143 1.916 1.00 0.00 H new ATOM 1042 N MET A 68 1.143 -15.417 4.864 1.00 0.00 N ATOM 1043 CA MET A 68 0.532 -15.287 6.175 1.00 0.00 C ATOM 1044 C MET A 68 -0.931 -14.855 6.058 1.00 0.00 C ATOM 1045 O MET A 68 -1.827 -15.546 6.541 1.00 0.00 O ATOM 1046 CB MET A 68 1.304 -14.254 7.000 1.00 0.00 C ATOM 1047 CG MET A 68 1.138 -14.514 8.498 1.00 0.00 C ATOM 1048 SD MET A 68 1.439 -13.012 9.414 1.00 0.00 S ATOM 1049 CE MET A 68 0.099 -12.002 8.802 1.00 0.00 C ATOM 0 H MET A 68 1.911 -14.769 4.685 1.00 0.00 H new ATOM 0 HA MET A 68 0.567 -16.258 6.668 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.361 -14.289 6.736 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.948 -13.252 6.760 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.132 -14.879 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.831 -15.291 8.820 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.358 -11.462 9.631 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.484 -11.289 8.073 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.649 -12.638 8.328 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.128 -13.715 5.412 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.467 -13.183 5.225 1.00 0.00 C ATOM 1061 C LEU A 69 -3.397 -14.306 4.759 1.00 0.00 C ATOM 1062 O LEU A 69 -4.529 -14.415 5.228 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.438 -11.978 4.283 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.338 -10.948 4.546 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.607 -9.650 3.783 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -1.160 -10.705 6.046 1.00 0.00 C ATOM 0 H LEU A 69 -0.383 -13.145 5.012 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.864 -12.811 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.330 -12.343 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.402 -11.473 4.341 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.397 -11.352 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.810 -8.936 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.642 -9.857 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.561 -9.231 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.372 -9.969 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.094 -10.333 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.887 -11.640 6.536 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.884 -15.112 3.841 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.654 -16.222 3.306 1.00 0.00 C ATOM 1080 C GLU A 70 -4.086 -17.161 4.433 1.00 0.00 C ATOM 1081 O GLU A 70 -5.272 -17.451 4.586 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.859 -16.977 2.238 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.733 -18.019 1.539 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.974 -19.333 1.349 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.733 -19.341 1.363 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.717 -20.375 1.183 1.00 0.00 O ATOM 0 H GLU A 70 -1.945 -15.019 3.454 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.549 -15.821 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.469 -16.272 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.000 -17.466 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.633 -18.197 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.055 -17.638 0.570 1.00 0.00 H new ATOM 1093 N GLU A 71 -3.100 -17.610 5.197 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.363 -18.510 6.307 1.00 0.00 C ATOM 1095 C GLU A 71 -4.153 -17.788 7.401 1.00 0.00 C ATOM 1096 O GLU A 71 -4.614 -18.413 8.354 1.00 0.00 O ATOM 1097 CB GLU A 71 -2.062 -19.091 6.863 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.643 -20.342 6.086 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.662 -21.578 6.987 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.140 -21.535 8.111 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -2.247 -22.612 6.482 1.00 0.00 O ATOM 0 H GLU A 71 -2.118 -17.367 5.069 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.965 -19.341 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.272 -18.342 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.191 -19.339 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.316 -20.493 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.643 -20.202 5.676 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.283 -16.481 7.226 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.010 -15.667 8.186 1.00 0.00 C ATOM 1110 C GLN A 72 -6.454 -15.462 7.725 1.00 0.00 C ATOM 1111 O GLN A 72 -7.393 -15.741 8.469 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.309 -14.325 8.407 1.00 0.00 C ATOM 1113 CG GLN A 72 -2.827 -14.527 8.731 1.00 0.00 C ATOM 1114 CD GLN A 72 -2.513 -14.077 10.159 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -2.437 -14.868 11.085 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -2.335 -12.765 10.287 1.00 0.00 N ATOM 0 H GLN A 72 -3.898 -15.966 6.435 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.027 -16.194 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.409 -13.707 7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.793 -13.788 9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.565 -15.578 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.216 -13.963 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.413 -12.158 9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.121 -12.366 11.201 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.587 -14.977 6.499 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.900 -14.731 5.929 1.00 0.00 C ATOM 1127 C ILE A 73 -8.550 -16.067 5.563 1.00 0.00 C ATOM 1128 O ILE A 73 -9.620 -16.400 6.070 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.802 -13.754 4.757 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.953 -12.536 5.127 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.192 -13.354 4.258 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.311 -11.917 3.885 1.00 0.00 C ATOM 0 H ILE A 73 -5.806 -14.748 5.884 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.548 -14.249 6.661 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.298 -14.259 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.575 -11.794 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.177 -12.830 5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.093 -12.659 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.730 -14.243 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.745 -12.875 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.713 -11.053 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.671 -12.654 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.090 -11.601 3.191 1.00 0.00 H new ATOM 1144 N THR A 74 -7.877 -16.796 4.685 1.00 0.00 N ATOM 1145 CA THR A 74 -8.375 -18.088 4.246 1.00 0.00 C ATOM 1146 C THR A 74 -8.513 -19.040 5.436 1.00 0.00 C ATOM 1147 O THR A 74 -9.254 -20.019 5.370 1.00 0.00 O ATOM 1148 CB THR A 74 -7.438 -18.610 3.155 1.00 0.00 C ATOM 1149 OG1 THR A 74 -8.298 -19.321 2.270 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.473 -19.678 3.675 1.00 0.00 C ATOM 0 H THR A 74 -6.990 -16.516 4.266 1.00 0.00 H new ATOM 0 HA THR A 74 -9.375 -18.003 3.822 1.00 0.00 H new ATOM 0 HB THR A 74 -6.870 -17.779 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.772 -19.692 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.830 -20.015 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.859 -19.257 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.041 -20.524 4.063 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.787 -18.718 6.497 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.819 -19.533 7.700 1.00 0.00 C ATOM 1160 C ALA A 75 -9.257 -19.981 7.969 1.00 0.00 C ATOM 1161 O ALA A 75 -9.481 -21.049 8.535 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.226 -18.741 8.868 1.00 0.00 C ATOM 0 H ALA A 75 -7.174 -17.905 6.549 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.213 -20.430 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.250 -19.351 9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.195 -18.472 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.811 -17.835 9.027 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.193 -19.143 7.548 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.602 -19.440 7.737 1.00 0.00 C ATOM 1170 C PHE A 76 -12.160 -20.228 6.550 1.00 0.00 C ATOM 1171 O PHE A 76 -12.694 -19.643 5.608 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.333 -18.100 7.834 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.766 -17.727 9.253 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.411 -18.639 10.029 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.506 -16.484 9.740 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.813 -18.294 11.346 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.907 -16.138 11.057 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.552 -17.051 11.832 1.00 0.00 C ATOM 0 H PHE A 76 -10.003 -18.259 7.077 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.738 -20.043 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.684 -17.315 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.214 -18.132 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.617 -19.626 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.994 -15.760 9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.326 -19.018 11.962 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.700 -15.151 11.443 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.857 -16.789 12.834 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.017 -21.542 6.634 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.500 -22.416 5.578 1.00 0.00 C ATOM 1190 C GLU A 77 -14.028 -22.503 5.618 1.00 0.00 C ATOM 1191 O GLU A 77 -14.641 -23.128 4.754 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.869 -23.805 5.683 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.298 -24.252 4.337 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.923 -25.574 3.887 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.690 -26.579 4.661 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -12.595 -25.619 2.845 1.00 0.00 O ATOM 0 H GLU A 77 -11.574 -22.023 7.417 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.204 -21.991 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.077 -23.793 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.616 -24.523 6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.484 -23.484 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.217 -24.365 4.416 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.598 -21.867 6.631 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.042 -21.865 6.795 1.00 0.00 C ATOM 1205 C ASP A 78 -16.615 -20.571 6.213 1.00 0.00 C ATOM 1206 O ASP A 78 -17.754 -20.207 6.502 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.428 -21.931 8.274 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.874 -22.351 8.547 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -18.211 -23.544 8.502 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.681 -21.383 8.818 1.00 0.00 O ATOM 0 H ASP A 78 -14.086 -21.350 7.346 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.442 -22.738 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.761 -22.631 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.259 -20.952 8.722 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.799 -19.911 5.404 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.211 -18.666 4.779 1.00 0.00 C ATOM 1217 C TYR A 79 -15.440 -18.422 3.481 1.00 0.00 C ATOM 1218 O TYR A 79 -16.021 -18.015 2.476 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.867 -17.559 5.778 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.824 -17.475 6.968 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -18.188 -17.464 6.757 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -16.324 -17.409 8.252 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -19.089 -17.385 7.878 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -17.226 -17.329 9.373 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.564 -17.321 9.130 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.414 -17.246 10.188 1.00 0.00 O ATOM 0 H TYR A 79 -14.855 -20.215 5.167 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.273 -18.693 4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.855 -17.721 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.866 -16.601 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.580 -17.515 5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.257 -17.417 8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -20.158 -17.377 7.727 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.848 -17.277 10.383 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.898 -17.207 11.020 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.142 -18.681 3.543 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.285 -18.496 2.384 1.00 0.00 C ATOM 1238 C VAL A 80 -13.355 -19.742 1.499 1.00 0.00 C ATOM 1239 O VAL A 80 -13.071 -20.848 1.956 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.861 -18.161 2.834 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.912 -18.082 1.637 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.834 -16.862 3.644 1.00 0.00 C ATOM 0 H VAL A 80 -13.663 -19.018 4.378 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.629 -17.653 1.785 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.515 -18.967 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.907 -17.843 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.898 -19.041 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.254 -17.306 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.811 -16.646 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.209 -16.043 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.463 -16.971 4.527 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.733 -19.520 0.249 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.842 -20.612 -0.704 1.00 0.00 C ATOM 1254 C GLN A 81 -12.478 -20.909 -1.330 1.00 0.00 C ATOM 1255 O GLN A 81 -12.203 -22.044 -1.718 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.883 -20.297 -1.780 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.130 -21.512 -2.676 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.326 -21.089 -4.133 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -14.837 -20.064 -4.579 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.064 -21.933 -4.848 1.00 0.00 N ATOM 0 H GLN A 81 -13.968 -18.601 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.176 -21.502 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.817 -19.992 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.543 -19.457 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.287 -22.199 -2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.011 -22.051 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.443 -22.774 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.251 -21.740 -5.832 1.00 0.00 H new ATOM 1269 N SER A 82 -11.661 -19.870 -1.411 1.00 0.00 N ATOM 1270 CA SER A 82 -10.332 -20.005 -1.982 1.00 0.00 C ATOM 1271 C SER A 82 -9.769 -18.625 -2.331 1.00 0.00 C ATOM 1272 O SER A 82 -10.326 -17.917 -3.168 1.00 0.00 O ATOM 1273 CB SER A 82 -10.357 -20.898 -3.226 1.00 0.00 C ATOM 1274 OG SER A 82 -10.111 -22.265 -2.906 1.00 0.00 O ATOM 0 H SER A 82 -11.894 -18.930 -1.090 1.00 0.00 H new ATOM 0 HA SER A 82 -9.687 -20.476 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.326 -20.809 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.607 -20.551 -3.937 1.00 0.00 H new ATOM 0 HG SER A 82 -10.943 -22.685 -2.605 1.00 0.00 H new ATOM 1280 N MET A 83 -8.672 -18.286 -1.671 1.00 0.00 N ATOM 1281 CA MET A 83 -8.027 -17.005 -1.900 1.00 0.00 C ATOM 1282 C MET A 83 -7.197 -17.030 -3.185 1.00 0.00 C ATOM 1283 O MET A 83 -6.802 -18.097 -3.652 1.00 0.00 O ATOM 1284 CB MET A 83 -7.121 -16.669 -0.713 1.00 0.00 C ATOM 1285 CG MET A 83 -6.130 -15.562 -1.076 1.00 0.00 C ATOM 1286 SD MET A 83 -5.027 -15.257 0.294 1.00 0.00 S ATOM 1287 CE MET A 83 -3.471 -15.162 -0.575 1.00 0.00 C ATOM 0 H MET A 83 -8.213 -18.877 -0.977 1.00 0.00 H new ATOM 0 HA MET A 83 -8.801 -16.244 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.729 -16.354 0.135 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.577 -17.561 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.557 -15.850 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.669 -14.649 -1.330 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.785 -14.519 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.041 -16.160 -0.662 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.635 -14.749 -1.570 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.956 -15.842 -3.720 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.179 -15.715 -4.942 1.00 0.00 C ATOM 1299 C ASP A 84 -5.429 -14.382 -4.927 1.00 0.00 C ATOM 1300 O ASP A 84 -5.454 -13.661 -3.930 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.085 -15.734 -6.174 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.360 -17.123 -6.753 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -7.337 -18.132 -6.032 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.609 -17.147 -8.018 1.00 0.00 O ATOM 0 H ASP A 84 -7.285 -14.959 -3.330 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.486 -16.555 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.037 -15.270 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.631 -15.117 -6.950 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.779 -14.092 -6.045 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.023 -12.859 -6.174 1.00 0.00 C ATOM 1311 C VAL A 85 -4.476 -12.117 -7.434 1.00 0.00 C ATOM 1312 O VAL A 85 -4.455 -12.677 -8.528 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.524 -13.161 -6.164 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.709 -11.904 -6.482 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -2.095 -13.768 -4.827 1.00 0.00 C ATOM 0 H VAL A 85 -4.761 -14.691 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.214 -12.203 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.326 -13.896 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.646 -12.146 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.984 -11.532 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.916 -11.138 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.025 -13.973 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.315 -13.067 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.639 -14.697 -4.658 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.874 -10.869 -7.235 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.331 -10.045 -8.342 1.00 0.00 C ATOM 1327 C ALA A 86 -4.123 -9.394 -9.020 1.00 0.00 C ATOM 1328 O ALA A 86 -4.201 -8.988 -10.178 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.337 -9.014 -7.829 1.00 0.00 C ATOM 0 H ALA A 86 -4.890 -10.409 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.840 -10.654 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.680 -8.396 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.189 -9.527 -7.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.861 -8.383 -7.079 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.034 -9.314 -8.268 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.813 -8.719 -8.782 1.00 0.00 C ATOM 1337 C ALA A 87 -0.785 -8.621 -7.652 1.00 0.00 C ATOM 1338 O ALA A 87 -1.144 -8.390 -6.500 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.129 -7.356 -9.402 1.00 0.00 C ATOM 0 H ALA A 87 -2.973 -9.651 -7.307 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.384 -9.342 -9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.212 -6.910 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.841 -7.483 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.559 -6.702 -8.643 1.00 0.00 H new ATOM 1345 N PHE A 88 0.474 -8.801 -8.024 1.00 0.00 N ATOM 1346 CA PHE A 88 1.557 -8.736 -7.057 1.00 0.00 C ATOM 1347 C PHE A 88 2.705 -7.869 -7.578 1.00 0.00 C ATOM 1348 O PHE A 88 3.636 -8.375 -8.203 1.00 0.00 O ATOM 1349 CB PHE A 88 2.063 -10.165 -6.856 1.00 0.00 C ATOM 1350 CG PHE A 88 2.426 -10.498 -5.407 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.452 -9.847 -4.797 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.723 -11.445 -4.730 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.789 -10.156 -3.451 1.00 0.00 C ATOM 1354 CE2 PHE A 88 2.060 -11.754 -3.385 1.00 0.00 C ATOM 1355 CZ PHE A 88 3.086 -11.103 -2.775 1.00 0.00 C ATOM 0 H PHE A 88 0.768 -8.992 -8.982 1.00 0.00 H new ATOM 0 HA PHE A 88 1.199 -8.297 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.298 -10.862 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.940 -10.321 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.011 -9.095 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.908 -11.962 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.603 -9.639 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.501 -12.506 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.343 -11.338 -1.753 1.00 0.00 H new ATOM 1365 N ASN A 89 2.602 -6.578 -7.300 1.00 0.00 N ATOM 1366 CA ASN A 89 3.621 -5.636 -7.732 1.00 0.00 C ATOM 1367 C ASN A 89 3.804 -4.562 -6.659 1.00 0.00 C ATOM 1368 O ASN A 89 3.209 -4.642 -5.586 1.00 0.00 O ATOM 1369 CB ASN A 89 3.212 -4.941 -9.033 1.00 0.00 C ATOM 1370 CG ASN A 89 1.832 -4.296 -8.898 1.00 0.00 C ATOM 1371 OD1 ASN A 89 0.808 -4.959 -8.872 1.00 0.00 O ATOM 1372 ND2 ASN A 89 1.860 -2.969 -8.815 1.00 0.00 N ATOM 0 H ASN A 89 1.829 -6.162 -6.781 1.00 0.00 H new ATOM 0 HA ASN A 89 4.546 -6.190 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.949 -4.181 -9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.201 -5.664 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.990 -2.445 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.752 -2.475 -8.843 1.00 0.00 H new ATOM 1379 N LYS A 90 4.632 -3.579 -6.986 1.00 0.00 N ATOM 1380 CA LYS A 90 4.901 -2.490 -6.063 1.00 0.00 C ATOM 1381 C LYS A 90 3.692 -1.554 -6.018 1.00 0.00 C ATOM 1382 O LYS A 90 2.812 -1.584 -6.875 1.00 0.00 O ATOM 1383 CB LYS A 90 6.209 -1.787 -6.431 1.00 0.00 C ATOM 1384 CG LYS A 90 6.587 -0.744 -5.377 1.00 0.00 C ATOM 1385 CD LYS A 90 8.060 -0.350 -5.499 1.00 0.00 C ATOM 1386 CE LYS A 90 8.891 -0.981 -4.380 1.00 0.00 C ATOM 1387 NZ LYS A 90 9.690 0.052 -3.683 1.00 0.00 N ATOM 0 H LYS A 90 5.125 -3.515 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 90 5.045 -2.874 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.008 -2.523 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.106 -1.306 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.960 0.140 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.395 -1.142 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.446 -0.668 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.154 0.735 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.234 -1.482 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.552 -1.742 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.156 -0.370 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.411 0.429 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.065 0.824 -3.374 1.00 0.00 H new ATOM 1401 N ILE A 91 3.668 -0.712 -4.982 1.00 0.00 N ATOM 1402 CA ILE A 91 2.592 0.240 -4.793 1.00 0.00 C ATOM 1403 C ILE A 91 3.084 1.645 -5.117 1.00 0.00 C ATOM 1404 O ILE A 91 4.122 2.071 -4.615 1.00 0.00 O ATOM 1405 CB ILE A 91 2.090 0.161 -3.354 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.082 1.278 -3.104 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.268 0.315 -2.396 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.320 0.685 -2.999 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.449 2.365 -5.886 1.00 0.00 O ATOM 0 H ILE A 91 4.390 -0.677 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 91 1.767 0.001 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 91 1.610 -0.804 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.333 1.810 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.121 2.005 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.911 0.259 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.988 -0.483 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.748 1.280 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.040 1.483 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.569 0.173 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.354 -0.026 -2.173 1.00 0.00 H new TER 1421 ILE A 91