USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 561 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 TYR OH : rot 120:sc= -0.327 USER MOD Set 2.1: A 7 TYR OH : rot 18:sc= 1.24 USER MOD Set 2.2: A 11 TYR OH : rot 33:sc= 0.347 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.08) USER MOD Single : A 3 SER OG : rot -139:sc= 1.16 USER MOD Single : A 5 TYR OH : rot 76:sc= 0.948 USER MOD Single : A 6 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.095) USER MOD Single : A 10 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.126) USER MOD Single : A 13 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-0.25) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00268) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -7.81! C(o=-7.8!,f=-15!) USER MOD Single : A 26 GLN : amide:sc= -0.952 K(o=-0.95,f=-0.048) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.251) USER MOD Single : A 36 THR OG1 : rot -49:sc= 1.15 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.23) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -64:sc= 1.19 USER MOD Single : A 50 ASN : amide:sc= -6.48! K(o=-6.5!,f=-0.54) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-1.1!) USER MOD Single : A 56 THR OG1 : rot -42:sc= 1.22 USER MOD Single : A 57 MET CE :methyl 148:sc= -0.27 (180deg=-1.44) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.045) USER MOD Single : A 67 TYR OH : rot 27:sc= 1.25 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.897 K(o=0.9,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.226 10.338 4.745 1.00 0.00 N ATOM 2 CA MET A 1 -4.424 9.096 4.937 1.00 0.00 C ATOM 3 C MET A 1 -5.270 7.886 4.545 1.00 0.00 C ATOM 4 O MET A 1 -5.404 6.933 5.314 1.00 0.00 O ATOM 5 CB MET A 1 -3.995 8.994 6.407 1.00 0.00 C ATOM 6 CG MET A 1 -2.688 8.201 6.509 1.00 0.00 C ATOM 7 SD MET A 1 -2.493 7.574 8.195 1.00 0.00 S ATOM 8 CE MET A 1 -0.711 7.270 8.119 1.00 0.00 C ATOM 0 H1 MET A 1 -4.654 11.165 5.011 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.508 10.418 3.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.076 10.298 5.343 1.00 0.00 H new ATOM 0 HA MET A 1 -3.533 9.124 4.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.861 9.991 6.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.775 8.505 6.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.696 7.373 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.843 8.837 6.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.369 6.872 9.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.498 6.550 7.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.191 8.205 7.908 1.00 0.00 H new ATOM 20 N LYS A 2 -5.840 7.936 3.342 1.00 0.00 N ATOM 21 CA LYS A 2 -6.677 6.842 2.853 1.00 0.00 C ATOM 22 C LYS A 2 -5.950 5.506 2.988 1.00 0.00 C ATOM 23 O LYS A 2 -4.719 5.458 3.006 1.00 0.00 O ATOM 24 CB LYS A 2 -7.064 7.079 1.386 1.00 0.00 C ATOM 25 CG LYS A 2 -5.808 7.288 0.529 1.00 0.00 C ATOM 26 CD LYS A 2 -5.546 8.789 0.344 1.00 0.00 C ATOM 27 CE LYS A 2 -6.330 9.304 -0.865 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.621 8.916 -2.118 1.00 0.00 N ATOM 0 H LYS A 2 -5.739 8.716 2.693 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.583 6.810 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.631 6.227 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.713 7.952 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.949 6.816 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.936 6.810 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.843 9.333 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.480 8.967 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.338 8.890 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.431 10.388 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.778 9.643 -2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.602 8.831 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.988 8.003 -2.456 1.00 0.00 H new ATOM 42 N SER A 3 -6.718 4.426 3.087 1.00 0.00 N ATOM 43 CA SER A 3 -6.135 3.095 3.228 1.00 0.00 C ATOM 44 C SER A 3 -5.219 2.781 2.047 1.00 0.00 C ATOM 45 O SER A 3 -5.566 3.042 0.894 1.00 0.00 O ATOM 46 CB SER A 3 -7.244 2.044 3.312 1.00 0.00 C ATOM 47 OG SER A 3 -7.733 1.982 4.647 1.00 0.00 O ATOM 0 H SER A 3 -7.738 4.444 3.072 1.00 0.00 H new ATOM 0 HA SER A 3 -5.545 3.073 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.053 2.297 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.862 1.070 3.007 1.00 0.00 H new ATOM 0 HG SER A 3 -7.888 1.047 4.896 1.00 0.00 H new ATOM 53 N PHE A 4 -4.048 2.221 2.345 1.00 0.00 N ATOM 54 CA PHE A 4 -3.089 1.870 1.301 1.00 0.00 C ATOM 55 C PHE A 4 -3.742 0.953 0.273 1.00 0.00 C ATOM 56 O PHE A 4 -3.493 1.074 -0.927 1.00 0.00 O ATOM 57 CB PHE A 4 -1.872 1.175 1.920 1.00 0.00 C ATOM 58 CG PHE A 4 -0.942 0.700 0.823 1.00 0.00 C ATOM 59 CD1 PHE A 4 -0.042 1.593 0.227 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.983 -0.635 0.403 1.00 0.00 C ATOM 61 CE1 PHE A 4 0.816 1.151 -0.786 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.124 -1.078 -0.610 1.00 0.00 C ATOM 63 CZ PHE A 4 0.776 -0.185 -1.205 1.00 0.00 C ATOM 0 H PHE A 4 -3.743 2.002 3.293 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.763 2.783 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.347 1.863 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.194 0.330 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.010 2.623 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.678 -1.324 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.509 1.840 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.155 -2.108 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.439 -0.526 -1.986 1.00 0.00 H new ATOM 73 N TYR A 5 -4.581 0.038 0.754 1.00 0.00 N ATOM 74 CA TYR A 5 -5.272 -0.896 -0.129 1.00 0.00 C ATOM 75 C TYR A 5 -6.182 -0.139 -1.094 1.00 0.00 C ATOM 76 O TYR A 5 -6.286 -0.494 -2.268 1.00 0.00 O ATOM 77 CB TYR A 5 -6.096 -1.890 0.698 1.00 0.00 C ATOM 78 CG TYR A 5 -6.803 -2.857 -0.226 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.059 -3.677 -1.085 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.202 -2.931 -0.228 1.00 0.00 C ATOM 81 CE1 TYR A 5 -6.713 -4.567 -1.946 1.00 0.00 C ATOM 82 CE2 TYR A 5 -8.855 -3.821 -1.088 1.00 0.00 C ATOM 83 CZ TYR A 5 -8.111 -4.639 -1.947 1.00 0.00 C ATOM 84 OH TYR A 5 -8.757 -5.514 -2.796 1.00 0.00 O ATOM 0 H TYR A 5 -4.797 -0.076 1.744 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.529 -1.445 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.446 -2.435 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.825 -1.355 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.980 -3.623 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.777 -2.301 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.139 -5.198 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.934 -3.877 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.677 -6.427 -2.448 1.00 0.00 H new ATOM 94 N HIS A 6 -6.836 0.907 -0.590 1.00 0.00 N ATOM 95 CA HIS A 6 -7.733 1.711 -1.420 1.00 0.00 C ATOM 96 C HIS A 6 -6.948 2.464 -2.482 1.00 0.00 C ATOM 97 O HIS A 6 -7.262 2.388 -3.669 1.00 0.00 O ATOM 98 CB HIS A 6 -8.475 2.727 -0.571 1.00 0.00 C ATOM 99 CG HIS A 6 -9.512 2.045 0.279 1.00 0.00 C ATOM 100 ND1 HIS A 6 -10.672 2.689 0.679 1.00 0.00 N ATOM 101 CD2 HIS A 6 -9.582 0.781 0.812 1.00 0.00 C ATOM 102 CE1 HIS A 6 -11.385 1.820 1.418 1.00 0.00 C ATOM 103 NE2 HIS A 6 -10.766 0.642 1.530 1.00 0.00 N ATOM 0 H HIS A 6 -6.763 1.216 0.379 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.441 1.031 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.770 3.263 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.952 3.468 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.833 0.012 0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.341 2.047 1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.091 -0.183 2.034 1.00 0.00 H new ATOM 112 N TYR A 7 -5.918 3.191 -2.052 1.00 0.00 N ATOM 113 CA TYR A 7 -5.099 3.936 -2.993 1.00 0.00 C ATOM 114 C TYR A 7 -4.590 2.958 -4.039 1.00 0.00 C ATOM 115 O TYR A 7 -4.742 3.174 -5.242 1.00 0.00 O ATOM 116 CB TYR A 7 -3.923 4.607 -2.267 1.00 0.00 C ATOM 117 CG TYR A 7 -2.837 4.956 -3.262 1.00 0.00 C ATOM 118 CD1 TYR A 7 -2.932 6.127 -4.026 1.00 0.00 C ATOM 119 CD2 TYR A 7 -1.739 4.103 -3.425 1.00 0.00 C ATOM 120 CE1 TYR A 7 -1.931 6.442 -4.951 1.00 0.00 C ATOM 121 CE2 TYR A 7 -0.738 4.420 -4.349 1.00 0.00 C ATOM 122 CZ TYR A 7 -0.833 5.589 -5.112 1.00 0.00 C ATOM 123 OH TYR A 7 0.154 5.898 -6.025 1.00 0.00 O ATOM 0 H TYR A 7 -5.638 3.277 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.686 4.723 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.265 5.508 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.527 3.939 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.778 6.786 -3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.665 3.200 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.005 7.344 -5.541 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.109 3.762 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 7 0.098 6.848 -6.258 1.00 0.00 H new ATOM 133 N LEU A 8 -4.021 1.860 -3.554 1.00 0.00 N ATOM 134 CA LEU A 8 -3.526 0.809 -4.427 1.00 0.00 C ATOM 135 C LEU A 8 -4.658 0.295 -5.319 1.00 0.00 C ATOM 136 O LEU A 8 -4.416 -0.167 -6.434 1.00 0.00 O ATOM 137 CB LEU A 8 -2.962 -0.340 -3.584 1.00 0.00 C ATOM 138 CG LEU A 8 -2.227 -1.340 -4.484 1.00 0.00 C ATOM 139 CD1 LEU A 8 -0.862 -0.769 -4.886 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.025 -2.653 -3.723 1.00 0.00 C ATOM 0 H LEU A 8 -3.892 1.677 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.734 1.212 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.280 0.052 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.770 -0.842 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.819 -1.522 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.343 -1.483 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.004 0.167 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.267 -0.584 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.503 -3.366 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.434 -2.467 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.995 -3.062 -3.440 1.00 0.00 H new ATOM 152 N LEU A 9 -5.898 0.378 -4.818 1.00 0.00 N ATOM 153 CA LEU A 9 -7.054 -0.088 -5.587 1.00 0.00 C ATOM 154 C LEU A 9 -7.166 0.659 -6.919 1.00 0.00 C ATOM 155 O LEU A 9 -7.775 0.160 -7.867 1.00 0.00 O ATOM 156 CB LEU A 9 -8.342 0.092 -4.772 1.00 0.00 C ATOM 157 CG LEU A 9 -9.158 -1.207 -4.780 1.00 0.00 C ATOM 158 CD1 LEU A 9 -10.325 -1.081 -3.796 1.00 0.00 C ATOM 159 CD2 LEU A 9 -9.701 -1.468 -6.191 1.00 0.00 C ATOM 0 H LEU A 9 -6.122 0.758 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.913 -1.147 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.097 0.370 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.935 0.906 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.519 -2.038 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.906 -2.003 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.938 -0.901 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.963 -0.249 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.280 -2.391 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.340 -0.638 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.869 -1.560 -6.890 1.00 0.00 H new ATOM 171 N LYS A 10 -6.587 1.858 -6.982 1.00 0.00 N ATOM 172 CA LYS A 10 -6.645 2.665 -8.202 1.00 0.00 C ATOM 173 C LYS A 10 -5.814 2.036 -9.319 1.00 0.00 C ATOM 174 O LYS A 10 -6.016 2.340 -10.496 1.00 0.00 O ATOM 175 CB LYS A 10 -6.121 4.078 -7.925 1.00 0.00 C ATOM 176 CG LYS A 10 -7.005 4.769 -6.883 1.00 0.00 C ATOM 177 CD LYS A 10 -6.689 6.269 -6.855 1.00 0.00 C ATOM 178 CE LYS A 10 -7.001 6.832 -5.467 1.00 0.00 C ATOM 179 NZ LYS A 10 -8.450 6.643 -5.174 1.00 0.00 N ATOM 0 H LYS A 10 -6.077 2.289 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.686 2.711 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.093 4.030 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.111 4.658 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.057 4.613 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.834 4.332 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.640 6.435 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.278 6.789 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.397 6.328 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.745 7.891 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.725 7.249 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.010 6.900 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.628 5.648 -4.931 1.00 0.00 H new ATOM 193 N TYR A 11 -4.883 1.163 -8.945 1.00 0.00 N ATOM 194 CA TYR A 11 -4.024 0.500 -9.922 1.00 0.00 C ATOM 195 C TYR A 11 -4.644 -0.820 -10.391 1.00 0.00 C ATOM 196 O TYR A 11 -3.966 -1.638 -11.015 1.00 0.00 O ATOM 197 CB TYR A 11 -2.655 0.235 -9.292 1.00 0.00 C ATOM 198 CG TYR A 11 -1.874 1.528 -9.208 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.246 2.516 -8.285 1.00 0.00 C ATOM 200 CD2 TYR A 11 -0.775 1.737 -10.049 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.519 3.710 -8.206 1.00 0.00 C ATOM 202 CE2 TYR A 11 -0.048 2.932 -9.970 1.00 0.00 C ATOM 203 CZ TYR A 11 -0.420 3.918 -9.048 1.00 0.00 C ATOM 204 OH TYR A 11 0.298 5.095 -8.970 1.00 0.00 O ATOM 0 H TYR A 11 -4.704 0.899 -7.976 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.914 1.150 -10.790 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.778 -0.192 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.106 -0.495 -9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.093 2.356 -7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.487 0.976 -10.760 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.806 4.471 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.799 3.093 -10.620 1.00 0.00 H new ATOM 0 HH TYR A 11 0.296 5.419 -8.045 1.00 0.00 H new ATOM 214 N ARG A 12 -5.940 -0.998 -10.097 1.00 0.00 N ATOM 215 CA ARG A 12 -6.693 -2.193 -10.477 1.00 0.00 C ATOM 216 C ARG A 12 -5.796 -3.391 -10.784 1.00 0.00 C ATOM 217 O ARG A 12 -4.856 -3.680 -10.042 1.00 0.00 O ATOM 218 CB ARG A 12 -7.565 -1.855 -11.679 1.00 0.00 C ATOM 219 CG ARG A 12 -8.429 -0.631 -11.361 1.00 0.00 C ATOM 220 CD ARG A 12 -9.623 -0.594 -12.315 1.00 0.00 C ATOM 221 NE ARG A 12 -9.159 -0.433 -13.691 1.00 0.00 N ATOM 222 CZ ARG A 12 -9.987 -0.567 -14.723 1.00 0.00 C ATOM 223 NH1 ARG A 12 -11.246 -0.849 -14.523 1.00 0.00 N ATOM 224 NH2 ARG A 12 -9.537 -0.414 -15.939 1.00 0.00 N ATOM 0 H ARG A 12 -6.494 -0.311 -9.586 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.309 -2.489 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.940 -1.655 -12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.200 -2.705 -11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.775 -0.674 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.840 0.281 -11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.201 -1.513 -12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.287 0.228 -12.048 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.178 -0.213 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.597 -0.967 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.878 -0.951 -15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.554 -0.193 -16.095 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.169 -0.516 -16.733 1.00 0.00 H new ATOM 238 N HIS A 13 -6.117 -4.108 -11.855 1.00 0.00 N ATOM 239 CA HIS A 13 -5.347 -5.290 -12.223 1.00 0.00 C ATOM 240 C HIS A 13 -5.578 -5.723 -13.684 1.00 0.00 C ATOM 241 O HIS A 13 -5.677 -6.919 -13.966 1.00 0.00 O ATOM 242 CB HIS A 13 -5.733 -6.435 -11.279 1.00 0.00 C ATOM 243 CG HIS A 13 -7.159 -6.857 -11.534 1.00 0.00 C ATOM 244 ND1 HIS A 13 -7.579 -8.169 -11.374 1.00 0.00 N ATOM 245 CD2 HIS A 13 -8.269 -6.158 -11.944 1.00 0.00 C ATOM 246 CE1 HIS A 13 -8.887 -8.218 -11.685 1.00 0.00 C ATOM 247 NE2 HIS A 13 -9.357 -7.020 -12.039 1.00 0.00 N ATOM 0 H HIS A 13 -6.896 -3.895 -12.478 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.289 -5.043 -12.132 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.063 -7.281 -11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.619 -6.117 -10.243 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.293 -5.100 -12.160 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.484 -9.117 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.310 -6.786 -12.319 1.00 0.00 H new ATOM 256 N PRO A 14 -5.638 -4.797 -14.620 1.00 0.00 N ATOM 257 CA PRO A 14 -5.830 -5.127 -16.062 1.00 0.00 C ATOM 258 C PRO A 14 -4.498 -5.393 -16.771 1.00 0.00 C ATOM 259 O PRO A 14 -3.798 -4.454 -17.154 1.00 0.00 O ATOM 260 CB PRO A 14 -6.488 -3.864 -16.606 1.00 0.00 C ATOM 261 CG PRO A 14 -5.890 -2.751 -15.804 1.00 0.00 C ATOM 262 CD PRO A 14 -5.536 -3.337 -14.428 1.00 0.00 C ATOM 0 HA PRO A 14 -6.416 -6.033 -16.214 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.286 -3.739 -17.670 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.571 -3.899 -16.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.002 -2.354 -16.295 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.594 -1.925 -15.703 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.533 -3.045 -14.117 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.223 -2.988 -13.657 1.00 0.00 H new ATOM 270 N LYS A 15 -4.155 -6.671 -16.938 1.00 0.00 N ATOM 271 CA LYS A 15 -2.902 -7.047 -17.601 1.00 0.00 C ATOM 272 C LYS A 15 -1.735 -6.211 -17.063 1.00 0.00 C ATOM 273 O LYS A 15 -1.383 -5.179 -17.637 1.00 0.00 O ATOM 274 CB LYS A 15 -3.025 -6.846 -19.117 1.00 0.00 C ATOM 275 CG LYS A 15 -4.071 -7.812 -19.684 1.00 0.00 C ATOM 276 CD LYS A 15 -3.469 -9.217 -19.805 1.00 0.00 C ATOM 277 CE LYS A 15 -4.279 -10.037 -20.812 1.00 0.00 C ATOM 278 NZ LYS A 15 -3.833 -9.708 -22.195 1.00 0.00 N ATOM 0 H LYS A 15 -4.722 -7.460 -16.626 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.707 -8.099 -17.392 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.311 -5.817 -19.335 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.061 -7.017 -19.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.947 -7.836 -19.035 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.408 -7.465 -20.661 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.429 -9.152 -20.126 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.472 -9.710 -18.833 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.147 -11.102 -20.620 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.342 -9.822 -20.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.593 -9.935 -22.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.609 -8.694 -22.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.986 -10.265 -22.428 1.00 0.00 H new ATOM 292 N PRO A 16 -1.140 -6.632 -15.974 1.00 0.00 N ATOM 293 CA PRO A 16 0.002 -5.901 -15.343 1.00 0.00 C ATOM 294 C PRO A 16 1.294 -6.013 -16.151 1.00 0.00 C ATOM 295 O PRO A 16 1.442 -6.905 -16.988 1.00 0.00 O ATOM 296 CB PRO A 16 0.153 -6.577 -13.979 1.00 0.00 C ATOM 297 CG PRO A 16 -0.397 -7.952 -14.156 1.00 0.00 C ATOM 298 CD PRO A 16 -1.486 -7.854 -15.226 1.00 0.00 C ATOM 0 HA PRO A 16 -0.191 -4.830 -15.280 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.198 -6.608 -13.670 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.392 -6.032 -13.208 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.386 -8.646 -14.463 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.807 -8.328 -13.219 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.490 -8.731 -15.873 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.478 -7.782 -14.781 1.00 0.00 H new ATOM 306 N LYS A 17 2.228 -5.101 -15.879 1.00 0.00 N ATOM 307 CA LYS A 17 3.518 -5.086 -16.567 1.00 0.00 C ATOM 308 C LYS A 17 4.606 -4.595 -15.617 1.00 0.00 C ATOM 309 O LYS A 17 5.697 -5.163 -15.561 1.00 0.00 O ATOM 310 CB LYS A 17 3.471 -4.163 -17.794 1.00 0.00 C ATOM 311 CG LYS A 17 2.111 -4.273 -18.492 1.00 0.00 C ATOM 312 CD LYS A 17 2.178 -3.593 -19.862 1.00 0.00 C ATOM 313 CE LYS A 17 2.634 -2.139 -19.697 1.00 0.00 C ATOM 314 NZ LYS A 17 2.254 -1.360 -20.910 1.00 0.00 N ATOM 0 H LYS A 17 2.114 -4.362 -15.185 1.00 0.00 H new ATOM 0 HA LYS A 17 3.740 -6.102 -16.895 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.648 -3.132 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.267 -4.431 -18.489 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.835 -5.321 -18.609 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.339 -3.806 -17.881 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.870 -4.129 -20.511 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.200 -3.625 -20.343 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.175 -1.701 -18.811 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.713 -2.099 -19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.563 -0.373 -20.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.712 -1.775 -21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.221 -1.388 -21.031 1.00 0.00 H new ATOM 328 N ASP A 18 4.296 -3.534 -14.871 1.00 0.00 N ATOM 329 CA ASP A 18 5.249 -2.968 -13.919 1.00 0.00 C ATOM 330 C ASP A 18 5.226 -3.760 -12.615 1.00 0.00 C ATOM 331 O ASP A 18 4.214 -4.368 -12.269 1.00 0.00 O ATOM 332 CB ASP A 18 4.904 -1.504 -13.638 1.00 0.00 C ATOM 333 CG ASP A 18 6.007 -0.856 -12.805 1.00 0.00 C ATOM 334 OD1 ASP A 18 7.019 -0.490 -13.381 1.00 0.00 O ATOM 335 OD2 ASP A 18 5.828 -0.742 -11.604 1.00 0.00 O ATOM 0 H ASP A 18 3.398 -3.052 -14.908 1.00 0.00 H new ATOM 0 HA ASP A 18 6.248 -3.024 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.782 -0.964 -14.577 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.953 -1.441 -13.109 1.00 0.00 H new ATOM 340 N SER A 19 6.347 -3.755 -11.896 1.00 0.00 N ATOM 341 CA SER A 19 6.440 -4.484 -10.636 1.00 0.00 C ATOM 342 C SER A 19 5.311 -4.090 -9.685 1.00 0.00 C ATOM 343 O SER A 19 4.676 -4.951 -9.074 1.00 0.00 O ATOM 344 CB SER A 19 7.790 -4.201 -9.975 1.00 0.00 C ATOM 345 OG SER A 19 8.823 -4.323 -10.945 1.00 0.00 O ATOM 0 H SER A 19 7.197 -3.258 -12.163 1.00 0.00 H new ATOM 0 HA SER A 19 6.350 -5.549 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.795 -3.199 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.960 -4.899 -9.156 1.00 0.00 H new ATOM 0 HG SER A 19 9.689 -4.141 -10.525 1.00 0.00 H new ATOM 351 N ILE A 20 5.062 -2.785 -9.567 1.00 0.00 N ATOM 352 CA ILE A 20 4.004 -2.293 -8.688 1.00 0.00 C ATOM 353 C ILE A 20 2.638 -2.754 -9.186 1.00 0.00 C ATOM 354 O ILE A 20 1.745 -3.053 -8.392 1.00 0.00 O ATOM 355 CB ILE A 20 4.053 -0.758 -8.608 1.00 0.00 C ATOM 356 CG1 ILE A 20 3.516 -0.301 -7.245 1.00 0.00 C ATOM 357 CG2 ILE A 20 3.199 -0.141 -9.724 1.00 0.00 C ATOM 358 CD1 ILE A 20 3.872 1.173 -7.019 1.00 0.00 C ATOM 0 H ILE A 20 5.574 -2.057 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 20 4.163 -2.702 -7.690 1.00 0.00 H new ATOM 0 HB ILE A 20 5.085 -0.430 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.435 -0.434 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.942 -0.914 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.242 0.946 -9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.582 -0.460 -10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.166 -0.471 -9.616 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.490 1.495 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.955 1.293 -7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.425 1.780 -7.806 1.00 0.00 H new ATOM 370 N SER A 21 2.486 -2.805 -10.507 1.00 0.00 N ATOM 371 CA SER A 21 1.229 -3.228 -11.106 1.00 0.00 C ATOM 372 C SER A 21 0.918 -4.668 -10.720 1.00 0.00 C ATOM 373 O SER A 21 -0.203 -4.977 -10.319 1.00 0.00 O ATOM 374 CB SER A 21 1.306 -3.109 -12.631 1.00 0.00 C ATOM 375 OG SER A 21 0.919 -1.798 -13.019 1.00 0.00 O ATOM 0 H SER A 21 3.215 -2.560 -11.177 1.00 0.00 H new ATOM 0 HA SER A 21 0.434 -2.581 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.320 -3.318 -12.973 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.654 -3.847 -13.098 1.00 0.00 H new ATOM 0 HG SER A 21 0.969 -1.717 -13.994 1.00 0.00 H new ATOM 381 N GLU A 22 1.921 -5.539 -10.832 1.00 0.00 N ATOM 382 CA GLU A 22 1.748 -6.948 -10.488 1.00 0.00 C ATOM 383 C GLU A 22 1.309 -7.082 -9.033 1.00 0.00 C ATOM 384 O GLU A 22 0.470 -7.922 -8.702 1.00 0.00 O ATOM 385 CB GLU A 22 3.060 -7.711 -10.703 1.00 0.00 C ATOM 386 CG GLU A 22 3.697 -7.292 -12.035 1.00 0.00 C ATOM 387 CD GLU A 22 4.347 -8.495 -12.711 1.00 0.00 C ATOM 388 OE1 GLU A 22 3.638 -9.228 -13.381 1.00 0.00 O ATOM 389 OE2 GLU A 22 5.545 -8.664 -12.553 1.00 0.00 O ATOM 0 H GLU A 22 2.857 -5.294 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 22 0.980 -7.372 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.747 -7.508 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.871 -8.784 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.938 -6.864 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.443 -6.516 -11.861 1.00 0.00 H new ATOM 396 N PHE A 23 1.869 -6.235 -8.174 1.00 0.00 N ATOM 397 CA PHE A 23 1.519 -6.250 -6.758 1.00 0.00 C ATOM 398 C PHE A 23 0.026 -5.967 -6.594 1.00 0.00 C ATOM 399 O PHE A 23 -0.654 -6.598 -5.785 1.00 0.00 O ATOM 400 CB PHE A 23 2.341 -5.190 -6.013 1.00 0.00 C ATOM 401 CG PHE A 23 2.193 -5.372 -4.519 1.00 0.00 C ATOM 402 CD1 PHE A 23 2.956 -6.338 -3.851 1.00 0.00 C ATOM 403 CD2 PHE A 23 1.298 -4.570 -3.799 1.00 0.00 C ATOM 404 CE1 PHE A 23 2.824 -6.502 -2.466 1.00 0.00 C ATOM 405 CE2 PHE A 23 1.166 -4.735 -2.415 1.00 0.00 C ATOM 406 CZ PHE A 23 1.929 -5.701 -1.749 1.00 0.00 C ATOM 0 H PHE A 23 2.563 -5.534 -8.432 1.00 0.00 H new ATOM 0 HA PHE A 23 1.742 -7.231 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.391 -5.269 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.008 -4.193 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.647 -6.957 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.709 -3.824 -4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.413 -7.247 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.475 -4.117 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.827 -5.828 -0.681 1.00 0.00 H new ATOM 416 N ALA A 24 -0.469 -5.017 -7.385 1.00 0.00 N ATOM 417 CA ALA A 24 -1.881 -4.644 -7.352 1.00 0.00 C ATOM 418 C ALA A 24 -2.778 -5.858 -7.593 1.00 0.00 C ATOM 419 O ALA A 24 -3.737 -6.086 -6.854 1.00 0.00 O ATOM 420 CB ALA A 24 -2.159 -3.582 -8.419 1.00 0.00 C ATOM 0 H ALA A 24 0.089 -4.491 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.104 -4.243 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.213 -3.306 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.548 -2.701 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.914 -3.982 -9.403 1.00 0.00 H new ATOM 426 N ASN A 25 -2.463 -6.630 -8.634 1.00 0.00 N ATOM 427 CA ASN A 25 -3.255 -7.816 -8.969 1.00 0.00 C ATOM 428 C ASN A 25 -3.331 -8.773 -7.782 1.00 0.00 C ATOM 429 O ASN A 25 -4.405 -9.264 -7.439 1.00 0.00 O ATOM 430 CB ASN A 25 -2.642 -8.551 -10.167 1.00 0.00 C ATOM 431 CG ASN A 25 -2.252 -7.558 -11.256 1.00 0.00 C ATOM 432 OD1 ASN A 25 -1.196 -6.942 -11.176 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.039 -7.373 -12.279 1.00 0.00 N ATOM 0 H ASN A 25 -1.672 -6.458 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.261 -7.481 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.765 -9.113 -9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.356 -9.273 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.775 -6.715 -13.013 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.918 -7.886 -12.345 1.00 0.00 H new ATOM 440 N GLN A 26 -2.183 -9.036 -7.163 1.00 0.00 N ATOM 441 CA GLN A 26 -2.130 -9.940 -6.018 1.00 0.00 C ATOM 442 C GLN A 26 -2.965 -9.393 -4.863 1.00 0.00 C ATOM 443 O GLN A 26 -3.804 -10.100 -4.303 1.00 0.00 O ATOM 444 CB GLN A 26 -0.676 -10.124 -5.572 1.00 0.00 C ATOM 445 CG GLN A 26 -0.620 -11.026 -4.331 1.00 0.00 C ATOM 446 CD GLN A 26 0.671 -11.843 -4.322 1.00 0.00 C ATOM 447 OE1 GLN A 26 0.757 -12.858 -3.631 1.00 0.00 O ATOM 448 NE2 GLN A 26 1.688 -11.459 -5.047 1.00 0.00 N ATOM 0 H GLN A 26 -1.283 -8.639 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.542 -10.905 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.092 -10.565 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.230 -9.155 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.679 -10.417 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.481 -11.695 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.617 -10.618 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.553 -12.000 -5.040 1.00 0.00 H new ATOM 457 N ALA A 27 -2.730 -8.131 -4.516 1.00 0.00 N ATOM 458 CA ALA A 27 -3.465 -7.493 -3.427 1.00 0.00 C ATOM 459 C ALA A 27 -4.968 -7.530 -3.695 1.00 0.00 C ATOM 460 O ALA A 27 -5.771 -7.562 -2.765 1.00 0.00 O ATOM 461 CB ALA A 27 -3.005 -6.042 -3.271 1.00 0.00 C ATOM 0 H ALA A 27 -2.040 -7.532 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.262 -8.040 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.557 -5.571 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.939 -6.021 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.192 -5.499 -4.198 1.00 0.00 H new ATOM 467 N TYR A 28 -5.338 -7.526 -4.974 1.00 0.00 N ATOM 468 CA TYR A 28 -6.746 -7.558 -5.362 1.00 0.00 C ATOM 469 C TYR A 28 -7.424 -8.826 -4.842 1.00 0.00 C ATOM 470 O TYR A 28 -8.598 -8.803 -4.466 1.00 0.00 O ATOM 471 CB TYR A 28 -6.859 -7.501 -6.889 1.00 0.00 C ATOM 472 CG TYR A 28 -8.299 -7.286 -7.297 1.00 0.00 C ATOM 473 CD1 TYR A 28 -8.914 -6.045 -7.083 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.016 -8.326 -7.898 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.245 -5.847 -7.467 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.347 -8.128 -8.285 1.00 0.00 C ATOM 477 CZ TYR A 28 -10.962 -6.889 -8.069 1.00 0.00 C ATOM 478 OH TYR A 28 -12.274 -6.695 -8.451 1.00 0.00 O ATOM 0 H TYR A 28 -4.685 -7.501 -5.757 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.247 -6.695 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.239 -6.693 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.484 -8.428 -7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.360 -5.241 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.543 -9.282 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.719 -4.891 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.899 -8.931 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.623 -7.518 -8.853 1.00 0.00 H new ATOM 488 N GLU A 29 -6.680 -9.930 -4.832 1.00 0.00 N ATOM 489 CA GLU A 29 -7.213 -11.207 -4.369 1.00 0.00 C ATOM 490 C GLU A 29 -7.064 -11.347 -2.855 1.00 0.00 C ATOM 491 O GLU A 29 -6.983 -12.460 -2.332 1.00 0.00 O ATOM 492 CB GLU A 29 -6.477 -12.355 -5.067 1.00 0.00 C ATOM 493 CG GLU A 29 -6.010 -11.906 -6.459 1.00 0.00 C ATOM 494 CD GLU A 29 -5.847 -13.111 -7.388 1.00 0.00 C ATOM 495 OE1 GLU A 29 -5.720 -14.218 -6.886 1.00 0.00 O ATOM 496 OE2 GLU A 29 -5.848 -12.906 -8.590 1.00 0.00 O ATOM 0 H GLU A 29 -5.708 -9.965 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.274 -11.245 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.620 -12.666 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.135 -13.220 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.732 -11.208 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.063 -11.373 -6.376 1.00 0.00 H new ATOM 503 N ASP A 30 -7.033 -10.217 -2.154 1.00 0.00 N ATOM 504 CA ASP A 30 -6.897 -10.235 -0.699 1.00 0.00 C ATOM 505 C ASP A 30 -8.231 -10.576 -0.040 1.00 0.00 C ATOM 506 O ASP A 30 -9.220 -10.837 -0.725 1.00 0.00 O ATOM 507 CB ASP A 30 -6.401 -8.873 -0.196 1.00 0.00 C ATOM 508 CG ASP A 30 -7.466 -7.794 -0.406 1.00 0.00 C ATOM 509 OD1 ASP A 30 -8.187 -7.875 -1.387 1.00 0.00 O ATOM 510 OD2 ASP A 30 -7.540 -6.898 0.421 1.00 0.00 O ATOM 0 H ASP A 30 -7.099 -9.285 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.169 -11.001 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.150 -8.941 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.488 -8.596 -0.723 1.00 0.00 H new ATOM 515 N HIS A 31 -8.247 -10.570 1.291 1.00 0.00 N ATOM 516 CA HIS A 31 -9.462 -10.882 2.043 1.00 0.00 C ATOM 517 C HIS A 31 -9.221 -10.676 3.534 1.00 0.00 C ATOM 518 O HIS A 31 -10.074 -10.133 4.239 1.00 0.00 O ATOM 519 CB HIS A 31 -9.883 -12.336 1.790 1.00 0.00 C ATOM 520 CG HIS A 31 -10.950 -12.382 0.728 1.00 0.00 C ATOM 521 ND1 HIS A 31 -10.833 -13.177 -0.402 1.00 0.00 N ATOM 522 CD2 HIS A 31 -12.157 -11.738 0.609 1.00 0.00 C ATOM 523 CE1 HIS A 31 -11.940 -12.992 -1.145 1.00 0.00 C ATOM 524 NE2 HIS A 31 -12.780 -12.124 -0.574 1.00 0.00 N ATOM 0 H HIS A 31 -7.436 -10.353 1.870 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.257 -10.215 1.710 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.020 -12.925 1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.256 -12.782 2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.562 -11.038 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.126 -13.485 -2.088 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.684 -11.811 -0.929 1.00 0.00 H new ATOM 533 N SER A 32 -8.054 -11.106 4.004 1.00 0.00 N ATOM 534 CA SER A 32 -7.701 -10.962 5.414 1.00 0.00 C ATOM 535 C SER A 32 -6.781 -9.759 5.609 1.00 0.00 C ATOM 536 O SER A 32 -6.582 -9.294 6.733 1.00 0.00 O ATOM 537 CB SER A 32 -7.007 -12.231 5.911 1.00 0.00 C ATOM 538 OG SER A 32 -6.588 -12.046 7.258 1.00 0.00 O ATOM 0 H SER A 32 -7.339 -11.555 3.432 1.00 0.00 H new ATOM 0 HA SER A 32 -8.614 -10.805 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.687 -13.080 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.148 -12.460 5.280 1.00 0.00 H new ATOM 0 HG SER A 32 -6.145 -12.860 7.577 1.00 0.00 H new ATOM 544 N PHE A 33 -6.233 -9.259 4.503 1.00 0.00 N ATOM 545 CA PHE A 33 -5.342 -8.103 4.545 1.00 0.00 C ATOM 546 C PHE A 33 -5.972 -6.973 5.362 1.00 0.00 C ATOM 547 O PHE A 33 -7.172 -6.719 5.248 1.00 0.00 O ATOM 548 CB PHE A 33 -5.073 -7.619 3.115 1.00 0.00 C ATOM 549 CG PHE A 33 -4.073 -6.485 3.135 1.00 0.00 C ATOM 550 CD1 PHE A 33 -4.514 -5.163 3.271 1.00 0.00 C ATOM 551 CD2 PHE A 33 -2.703 -6.756 3.022 1.00 0.00 C ATOM 552 CE1 PHE A 33 -3.588 -4.115 3.297 1.00 0.00 C ATOM 553 CE2 PHE A 33 -1.777 -5.707 3.047 1.00 0.00 C ATOM 554 CZ PHE A 33 -2.220 -4.386 3.185 1.00 0.00 C ATOM 0 H PHE A 33 -6.391 -9.636 3.568 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.404 -8.394 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.692 -8.441 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.003 -7.287 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.570 -4.952 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.361 -7.775 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.929 -3.096 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.721 -5.916 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.506 -3.576 3.205 1.00 0.00 H new ATOM 564 N PRO A 34 -5.196 -6.292 6.175 1.00 0.00 N ATOM 565 CA PRO A 34 -5.705 -5.165 7.015 1.00 0.00 C ATOM 566 C PRO A 34 -6.061 -3.937 6.172 1.00 0.00 C ATOM 567 O PRO A 34 -5.560 -2.839 6.411 1.00 0.00 O ATOM 568 CB PRO A 34 -4.545 -4.872 7.975 1.00 0.00 C ATOM 569 CG PRO A 34 -3.318 -5.360 7.278 1.00 0.00 C ATOM 570 CD PRO A 34 -3.755 -6.522 6.385 1.00 0.00 C ATOM 0 HA PRO A 34 -6.628 -5.420 7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.475 -3.806 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.685 -5.383 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.867 -4.564 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.567 -5.686 7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.210 -6.526 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.570 -7.484 6.864 1.00 0.00 H new ATOM 578 N LYS A 35 -6.935 -4.138 5.186 1.00 0.00 N ATOM 579 CA LYS A 35 -7.363 -3.047 4.308 1.00 0.00 C ATOM 580 C LYS A 35 -7.941 -1.895 5.125 1.00 0.00 C ATOM 581 O LYS A 35 -7.931 -0.745 4.686 1.00 0.00 O ATOM 582 CB LYS A 35 -8.415 -3.549 3.311 1.00 0.00 C ATOM 583 CG LYS A 35 -9.316 -4.589 3.985 1.00 0.00 C ATOM 584 CD LYS A 35 -10.663 -4.661 3.257 1.00 0.00 C ATOM 585 CE LYS A 35 -11.206 -6.091 3.322 1.00 0.00 C ATOM 586 NZ LYS A 35 -11.300 -6.528 4.745 1.00 0.00 N ATOM 0 H LYS A 35 -7.359 -5.041 4.975 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.491 -2.689 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.015 -2.714 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.925 -3.988 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.832 -5.566 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.472 -4.325 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.372 -3.971 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.543 -4.354 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.188 -6.139 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.553 -6.764 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.935 -7.349 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.355 -6.791 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.676 -5.750 5.323 1.00 0.00 H new ATOM 600 N THR A 36 -8.441 -2.216 6.317 1.00 0.00 N ATOM 601 CA THR A 36 -9.020 -1.206 7.196 1.00 0.00 C ATOM 602 C THR A 36 -7.977 -0.722 8.206 1.00 0.00 C ATOM 603 O THR A 36 -8.282 -0.509 9.381 1.00 0.00 O ATOM 604 CB THR A 36 -10.241 -1.789 7.927 1.00 0.00 C ATOM 605 OG1 THR A 36 -10.749 -0.833 8.847 1.00 0.00 O ATOM 606 CG2 THR A 36 -9.841 -3.064 8.679 1.00 0.00 C ATOM 0 H THR A 36 -8.456 -3.164 6.694 1.00 0.00 H new ATOM 0 HA THR A 36 -9.341 -0.355 6.596 1.00 0.00 H new ATOM 0 HB THR A 36 -11.011 -2.033 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.013 -0.475 9.386 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.711 -3.471 9.194 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.462 -3.800 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.065 -2.828 9.408 1.00 0.00 H new ATOM 614 N SER A 37 -6.742 -0.544 7.729 1.00 0.00 N ATOM 615 CA SER A 37 -5.646 -0.083 8.579 1.00 0.00 C ATOM 616 C SER A 37 -4.351 -0.040 7.772 1.00 0.00 C ATOM 617 O SER A 37 -3.887 -1.069 7.280 1.00 0.00 O ATOM 618 CB SER A 37 -5.465 -1.020 9.780 1.00 0.00 C ATOM 619 OG SER A 37 -5.093 -0.256 10.920 1.00 0.00 O ATOM 0 H SER A 37 -6.478 -0.713 6.758 1.00 0.00 H new ATOM 0 HA SER A 37 -5.887 0.916 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.391 -1.561 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.700 -1.766 9.562 1.00 0.00 H new ATOM 0 HG SER A 37 -4.978 -0.852 11.690 1.00 0.00 H new ATOM 625 N THR A 38 -3.771 1.151 7.640 1.00 0.00 N ATOM 626 CA THR A 38 -2.531 1.299 6.890 1.00 0.00 C ATOM 627 C THR A 38 -1.374 1.556 7.843 1.00 0.00 C ATOM 628 O THR A 38 -1.242 2.643 8.409 1.00 0.00 O ATOM 629 CB THR A 38 -2.658 2.457 5.887 1.00 0.00 C ATOM 630 OG1 THR A 38 -1.411 2.653 5.232 1.00 0.00 O ATOM 631 CG2 THR A 38 -3.062 3.746 6.613 1.00 0.00 C ATOM 0 H THR A 38 -4.136 2.016 8.038 1.00 0.00 H new ATOM 0 HA THR A 38 -2.337 0.378 6.341 1.00 0.00 H new ATOM 0 HB THR A 38 -3.425 2.209 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.490 3.390 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.148 4.558 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.021 3.598 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.304 3.999 7.355 1.00 0.00 H new ATOM 639 N ASP A 39 -0.536 0.544 8.006 1.00 0.00 N ATOM 640 CA ASP A 39 0.619 0.649 8.880 1.00 0.00 C ATOM 641 C ASP A 39 1.771 -0.171 8.306 1.00 0.00 C ATOM 642 O ASP A 39 1.641 -1.378 8.105 1.00 0.00 O ATOM 643 CB ASP A 39 0.241 0.172 10.286 1.00 0.00 C ATOM 644 CG ASP A 39 1.489 -0.070 11.140 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.497 0.569 10.886 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.411 -0.881 12.047 1.00 0.00 O ATOM 0 H ASP A 39 -0.635 -0.360 7.543 1.00 0.00 H new ATOM 0 HA ASP A 39 0.943 1.688 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.394 0.916 10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.340 -0.747 10.217 1.00 0.00 H new ATOM 651 N TYR A 40 2.888 0.492 8.035 1.00 0.00 N ATOM 652 CA TYR A 40 4.051 -0.185 7.470 1.00 0.00 C ATOM 653 C TYR A 40 4.507 -1.347 8.352 1.00 0.00 C ATOM 654 O TYR A 40 4.793 -2.431 7.852 1.00 0.00 O ATOM 655 CB TYR A 40 5.205 0.806 7.301 1.00 0.00 C ATOM 656 CG TYR A 40 6.383 0.100 6.669 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.504 0.048 5.274 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.351 -0.509 7.478 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.592 -0.611 4.690 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.438 -1.168 6.894 1.00 0.00 C ATOM 661 CZ TYR A 40 8.559 -1.219 5.501 1.00 0.00 C ATOM 662 OH TYR A 40 9.631 -1.869 4.926 1.00 0.00 O ATOM 0 H TYR A 40 3.014 1.491 8.196 1.00 0.00 H new ATOM 0 HA TYR A 40 3.760 -0.585 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.892 1.644 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.490 1.218 8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.758 0.516 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.258 -0.470 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.686 -0.651 3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.184 -1.637 7.518 1.00 0.00 H new ATOM 0 HH TYR A 40 10.208 -2.234 5.629 1.00 0.00 H new ATOM 672 N HIS A 41 4.598 -1.108 9.657 1.00 0.00 N ATOM 673 CA HIS A 41 5.054 -2.142 10.586 1.00 0.00 C ATOM 674 C HIS A 41 4.120 -3.356 10.594 1.00 0.00 C ATOM 675 O HIS A 41 4.570 -4.491 10.426 1.00 0.00 O ATOM 676 CB HIS A 41 5.144 -1.563 12.002 1.00 0.00 C ATOM 677 CG HIS A 41 5.791 -0.204 11.960 1.00 0.00 C ATOM 678 ND1 HIS A 41 7.143 -0.032 11.704 1.00 0.00 N ATOM 679 CD2 HIS A 41 5.282 1.059 12.140 1.00 0.00 C ATOM 680 CE1 HIS A 41 7.397 1.289 11.737 1.00 0.00 C ATOM 681 NE2 HIS A 41 6.296 2.000 11.999 1.00 0.00 N ATOM 0 H HIS A 41 4.365 -0.216 10.094 1.00 0.00 H new ATOM 0 HA HIS A 41 6.036 -2.475 10.251 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.148 -1.488 12.437 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.722 -2.231 12.641 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.249 1.287 12.358 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.372 1.722 11.572 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.217 3.014 12.078 1.00 0.00 H new ATOM 690 N GLU A 42 2.827 -3.115 10.795 1.00 0.00 N ATOM 691 CA GLU A 42 1.852 -4.206 10.832 1.00 0.00 C ATOM 692 C GLU A 42 1.782 -4.938 9.493 1.00 0.00 C ATOM 693 O GLU A 42 1.864 -6.167 9.441 1.00 0.00 O ATOM 694 CB GLU A 42 0.465 -3.666 11.190 1.00 0.00 C ATOM 695 CG GLU A 42 -0.470 -4.831 11.533 1.00 0.00 C ATOM 696 CD GLU A 42 -0.277 -5.244 12.989 1.00 0.00 C ATOM 697 OE1 GLU A 42 -0.677 -4.487 13.859 1.00 0.00 O ATOM 698 OE2 GLU A 42 0.271 -6.311 13.215 1.00 0.00 O ATOM 0 H GLU A 42 2.431 -2.185 10.934 1.00 0.00 H new ATOM 0 HA GLU A 42 2.178 -4.913 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.537 -2.984 12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.059 -3.095 10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.506 -4.538 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.266 -5.677 10.876 1.00 0.00 H new ATOM 705 N ILE A 43 1.617 -4.179 8.415 1.00 0.00 N ATOM 706 CA ILE A 43 1.520 -4.772 7.086 1.00 0.00 C ATOM 707 C ILE A 43 2.834 -5.450 6.700 1.00 0.00 C ATOM 708 O ILE A 43 2.826 -6.506 6.070 1.00 0.00 O ATOM 709 CB ILE A 43 1.138 -3.696 6.061 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.337 -3.318 6.264 1.00 0.00 C ATOM 711 CG2 ILE A 43 1.332 -4.239 4.640 1.00 0.00 C ATOM 712 CD1 ILE A 43 -0.657 -2.012 5.532 1.00 0.00 C ATOM 0 H ILE A 43 1.548 -3.162 8.434 1.00 0.00 H new ATOM 0 HA ILE A 43 0.742 -5.535 7.097 1.00 0.00 H new ATOM 0 HB ILE A 43 1.771 -2.819 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.979 -4.117 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.548 -3.208 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.059 -3.471 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.376 -4.518 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.699 -5.115 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.706 -1.757 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.028 -1.212 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.465 -2.136 4.466 1.00 0.00 H new ATOM 724 N SER A 44 3.959 -4.853 7.094 1.00 0.00 N ATOM 725 CA SER A 44 5.266 -5.437 6.789 1.00 0.00 C ATOM 726 C SER A 44 5.308 -6.891 7.250 1.00 0.00 C ATOM 727 O SER A 44 5.708 -7.781 6.497 1.00 0.00 O ATOM 728 CB SER A 44 6.379 -4.644 7.482 1.00 0.00 C ATOM 729 OG SER A 44 7.573 -5.417 7.496 1.00 0.00 O ATOM 0 H SER A 44 3.993 -3.978 7.617 1.00 0.00 H new ATOM 0 HA SER A 44 5.422 -5.396 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.549 -3.702 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.082 -4.395 8.501 1.00 0.00 H new ATOM 0 HG SER A 44 8.286 -4.910 7.938 1.00 0.00 H new ATOM 735 N SER A 45 4.886 -7.124 8.492 1.00 0.00 N ATOM 736 CA SER A 45 4.870 -8.469 9.047 1.00 0.00 C ATOM 737 C SER A 45 3.906 -9.357 8.264 1.00 0.00 C ATOM 738 O SER A 45 4.164 -10.543 8.068 1.00 0.00 O ATOM 739 CB SER A 45 4.455 -8.417 10.517 1.00 0.00 C ATOM 740 OG SER A 45 3.042 -8.291 10.611 1.00 0.00 O ATOM 0 H SER A 45 4.553 -6.399 9.128 1.00 0.00 H new ATOM 0 HA SER A 45 5.872 -8.892 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.784 -9.321 11.030 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.939 -7.575 11.012 1.00 0.00 H new ATOM 0 HG SER A 45 2.762 -7.439 10.215 1.00 0.00 H new ATOM 746 N TYR A 46 2.796 -8.768 7.817 1.00 0.00 N ATOM 747 CA TYR A 46 1.792 -9.510 7.054 1.00 0.00 C ATOM 748 C TYR A 46 2.410 -10.096 5.790 1.00 0.00 C ATOM 749 O TYR A 46 2.123 -11.233 5.414 1.00 0.00 O ATOM 750 CB TYR A 46 0.636 -8.577 6.679 1.00 0.00 C ATOM 751 CG TYR A 46 -0.574 -9.391 6.277 1.00 0.00 C ATOM 752 CD1 TYR A 46 -0.655 -9.939 4.990 1.00 0.00 C ATOM 753 CD2 TYR A 46 -1.618 -9.592 7.189 1.00 0.00 C ATOM 754 CE1 TYR A 46 -1.779 -10.686 4.615 1.00 0.00 C ATOM 755 CE2 TYR A 46 -2.741 -10.340 6.814 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.822 -10.886 5.528 1.00 0.00 C ATOM 757 OH TYR A 46 -3.927 -11.622 5.158 1.00 0.00 O ATOM 0 H TYR A 46 2.570 -7.785 7.969 1.00 0.00 H new ATOM 0 HA TYR A 46 1.416 -10.326 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.388 -7.934 7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.935 -7.925 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.150 -9.785 4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.557 -9.170 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.841 -11.107 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.545 -10.496 7.518 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.016 -12.398 5.749 1.00 0.00 H new ATOM 767 N LEU A 47 3.271 -9.315 5.143 1.00 0.00 N ATOM 768 CA LEU A 47 3.935 -9.773 3.929 1.00 0.00 C ATOM 769 C LEU A 47 4.974 -10.834 4.277 1.00 0.00 C ATOM 770 O LEU A 47 5.050 -11.880 3.632 1.00 0.00 O ATOM 771 CB LEU A 47 4.612 -8.592 3.223 1.00 0.00 C ATOM 772 CG LEU A 47 3.601 -7.452 3.036 1.00 0.00 C ATOM 773 CD1 LEU A 47 4.336 -6.180 2.610 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.579 -7.834 1.961 1.00 0.00 C ATOM 0 H LEU A 47 3.523 -8.371 5.436 1.00 0.00 H new ATOM 0 HA LEU A 47 3.192 -10.206 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.462 -8.244 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.001 -8.909 2.255 1.00 0.00 H new ATOM 0 HG LEU A 47 3.083 -7.276 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.617 -5.371 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.057 -5.902 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.858 -6.359 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.864 -7.021 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.094 -8.016 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.050 -8.737 2.266 1.00 0.00 H new ATOM 786 N GLU A 48 5.764 -10.560 5.313 1.00 0.00 N ATOM 787 CA GLU A 48 6.789 -11.500 5.756 1.00 0.00 C ATOM 788 C GLU A 48 6.145 -12.790 6.263 1.00 0.00 C ATOM 789 O GLU A 48 6.758 -13.859 6.228 1.00 0.00 O ATOM 790 CB GLU A 48 7.628 -10.866 6.868 1.00 0.00 C ATOM 791 CG GLU A 48 8.468 -9.725 6.286 1.00 0.00 C ATOM 792 CD GLU A 48 9.481 -9.232 7.318 1.00 0.00 C ATOM 793 OE1 GLU A 48 9.111 -9.105 8.475 1.00 0.00 O ATOM 794 OE2 GLU A 48 10.614 -8.986 6.935 1.00 0.00 O ATOM 0 H GLU A 48 5.714 -9.699 5.858 1.00 0.00 H new ATOM 0 HA GLU A 48 7.434 -11.740 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.979 -10.488 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.277 -11.615 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.988 -10.067 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.818 -8.904 5.983 1.00 0.00 H new ATOM 801 N LEU A 49 4.901 -12.676 6.724 1.00 0.00 N ATOM 802 CA LEU A 49 4.155 -13.825 7.231 1.00 0.00 C ATOM 803 C LEU A 49 3.872 -14.822 6.110 1.00 0.00 C ATOM 804 O LEU A 49 3.423 -15.941 6.362 1.00 0.00 O ATOM 805 CB LEU A 49 2.836 -13.363 7.860 1.00 0.00 C ATOM 806 CG LEU A 49 3.068 -12.982 9.328 1.00 0.00 C ATOM 807 CD1 LEU A 49 2.038 -11.933 9.756 1.00 0.00 C ATOM 808 CD2 LEU A 49 2.924 -14.227 10.211 1.00 0.00 C ATOM 0 H LEU A 49 4.387 -11.796 6.757 1.00 0.00 H new ATOM 0 HA LEU A 49 4.761 -14.318 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.440 -12.509 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.093 -14.157 7.794 1.00 0.00 H new ATOM 0 HG LEU A 49 4.072 -12.572 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.205 -11.664 10.799 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.141 -11.046 9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.034 -12.342 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.089 -13.955 11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.921 -14.639 10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.659 -14.973 9.910 1.00 0.00 H new ATOM 820 N ASN A 50 4.126 -14.403 4.872 1.00 0.00 N ATOM 821 CA ASN A 50 3.881 -15.262 3.715 1.00 0.00 C ATOM 822 C ASN A 50 4.901 -14.981 2.608 1.00 0.00 C ATOM 823 O ASN A 50 4.918 -13.901 2.013 1.00 0.00 O ATOM 824 CB ASN A 50 2.462 -15.027 3.188 1.00 0.00 C ATOM 825 CG ASN A 50 1.987 -16.246 2.406 1.00 0.00 C ATOM 826 OD1 ASN A 50 1.170 -17.023 2.900 1.00 0.00 O ATOM 827 ND2 ASN A 50 2.455 -16.462 1.209 1.00 0.00 N ATOM 0 H ASN A 50 4.499 -13.481 4.645 1.00 0.00 H new ATOM 0 HA ASN A 50 3.985 -16.302 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.784 -14.831 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.444 -14.145 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.144 -17.276 0.679 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.132 -15.817 0.802 1.00 0.00 H new ATOM 834 N ALA A 51 5.762 -15.971 2.365 1.00 0.00 N ATOM 835 CA ALA A 51 6.822 -15.871 1.359 1.00 0.00 C ATOM 836 C ALA A 51 6.307 -15.394 -0.001 1.00 0.00 C ATOM 837 O ALA A 51 7.076 -14.861 -0.800 1.00 0.00 O ATOM 838 CB ALA A 51 7.500 -17.233 1.194 1.00 0.00 C ATOM 0 H ALA A 51 5.745 -16.863 2.859 1.00 0.00 H new ATOM 0 HA ALA A 51 7.533 -15.126 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.289 -17.158 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.931 -17.542 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.763 -17.970 0.873 1.00 0.00 H new ATOM 844 N ASP A 52 5.019 -15.597 -0.270 1.00 0.00 N ATOM 845 CA ASP A 52 4.450 -15.185 -1.555 1.00 0.00 C ATOM 846 C ASP A 52 4.659 -13.691 -1.777 1.00 0.00 C ATOM 847 O ASP A 52 4.794 -13.238 -2.914 1.00 0.00 O ATOM 848 CB ASP A 52 2.950 -15.499 -1.601 1.00 0.00 C ATOM 849 CG ASP A 52 2.713 -17.010 -1.628 1.00 0.00 C ATOM 850 OD1 ASP A 52 3.606 -17.746 -1.237 1.00 0.00 O ATOM 851 OD2 ASP A 52 1.636 -17.410 -2.038 1.00 0.00 O ATOM 0 H ASP A 52 4.358 -16.036 0.371 1.00 0.00 H new ATOM 0 HA ASP A 52 4.959 -15.740 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.456 -15.064 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.505 -15.040 -2.484 1.00 0.00 H new ATOM 856 N TYR A 53 4.692 -12.932 -0.686 1.00 0.00 N ATOM 857 CA TYR A 53 4.895 -11.491 -0.774 1.00 0.00 C ATOM 858 C TYR A 53 6.370 -11.145 -0.582 1.00 0.00 C ATOM 859 O TYR A 53 6.831 -10.093 -1.026 1.00 0.00 O ATOM 860 CB TYR A 53 4.047 -10.782 0.282 1.00 0.00 C ATOM 861 CG TYR A 53 2.582 -11.030 -0.004 1.00 0.00 C ATOM 862 CD1 TYR A 53 2.006 -12.265 0.317 1.00 0.00 C ATOM 863 CD2 TYR A 53 1.802 -10.028 -0.594 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.653 -12.498 0.048 1.00 0.00 C ATOM 865 CE2 TYR A 53 0.447 -10.261 -0.862 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.127 -11.496 -0.541 1.00 0.00 C ATOM 867 OH TYR A 53 -1.461 -11.728 -0.805 1.00 0.00 O ATOM 0 H TYR A 53 4.582 -13.288 0.263 1.00 0.00 H new ATOM 0 HA TYR A 53 4.588 -11.154 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.302 -11.149 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.255 -9.712 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.607 -13.038 0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.245 -9.075 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.210 -13.452 0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.155 -9.488 -1.316 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.857 -10.930 -1.213 1.00 0.00 H new ATOM 877 N LEU A 54 7.105 -12.043 0.076 1.00 0.00 N ATOM 878 CA LEU A 54 8.531 -11.832 0.314 1.00 0.00 C ATOM 879 C LEU A 54 9.260 -11.549 -0.998 1.00 0.00 C ATOM 880 O LEU A 54 10.154 -10.704 -1.055 1.00 0.00 O ATOM 881 CB LEU A 54 9.139 -13.069 0.984 1.00 0.00 C ATOM 882 CG LEU A 54 10.634 -12.840 1.245 1.00 0.00 C ATOM 883 CD1 LEU A 54 10.812 -11.743 2.299 1.00 0.00 C ATOM 884 CD2 LEU A 54 11.269 -14.139 1.750 1.00 0.00 C ATOM 0 H LEU A 54 6.738 -12.918 0.451 1.00 0.00 H new ATOM 0 HA LEU A 54 8.646 -10.970 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.624 -13.275 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.002 -13.943 0.347 1.00 0.00 H new ATOM 0 HG LEU A 54 11.119 -12.533 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.875 -11.583 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.362 -10.817 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.326 -12.047 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.331 -13.977 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.782 -14.446 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.147 -14.920 0.999 1.00 0.00 H new ATOM 896 N HIS A 55 8.871 -12.272 -2.048 1.00 0.00 N ATOM 897 CA HIS A 55 9.491 -12.107 -3.362 1.00 0.00 C ATOM 898 C HIS A 55 9.035 -10.808 -4.024 1.00 0.00 C ATOM 899 O HIS A 55 9.305 -10.576 -5.205 1.00 0.00 O ATOM 900 CB HIS A 55 9.130 -13.297 -4.258 1.00 0.00 C ATOM 901 CG HIS A 55 9.311 -14.579 -3.492 1.00 0.00 C ATOM 902 ND1 HIS A 55 10.203 -14.690 -2.437 1.00 0.00 N ATOM 903 CD2 HIS A 55 8.718 -15.810 -3.612 1.00 0.00 C ATOM 904 CE1 HIS A 55 10.121 -15.947 -1.967 1.00 0.00 C ATOM 905 NE2 HIS A 55 9.230 -16.673 -2.647 1.00 0.00 N ATOM 0 H HIS A 55 8.132 -12.975 -2.015 1.00 0.00 H new ATOM 0 HA HIS A 55 10.572 -12.063 -3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.099 -13.208 -4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.761 -13.300 -5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.968 -16.070 -4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.705 -16.324 -1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.979 -17.649 -2.493 1.00 0.00 H new ATOM 914 N THR A 56 8.353 -9.963 -3.256 1.00 0.00 N ATOM 915 CA THR A 56 7.869 -8.685 -3.771 1.00 0.00 C ATOM 916 C THR A 56 8.037 -7.595 -2.723 1.00 0.00 C ATOM 917 O THR A 56 7.647 -6.448 -2.937 1.00 0.00 O ATOM 918 CB THR A 56 6.394 -8.790 -4.165 1.00 0.00 C ATOM 919 OG1 THR A 56 5.592 -8.844 -2.994 1.00 0.00 O ATOM 920 CG2 THR A 56 6.181 -10.053 -4.994 1.00 0.00 C ATOM 0 H THR A 56 8.123 -10.139 -2.278 1.00 0.00 H new ATOM 0 HA THR A 56 8.456 -8.429 -4.653 1.00 0.00 H new ATOM 0 HB THR A 56 6.110 -7.918 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.015 -9.433 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.131 -10.130 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.796 -10.006 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.464 -10.926 -4.406 1.00 0.00 H new ATOM 928 N MET A 57 8.635 -7.964 -1.592 1.00 0.00 N ATOM 929 CA MET A 57 8.871 -7.009 -0.519 1.00 0.00 C ATOM 930 C MET A 57 9.595 -5.791 -1.083 1.00 0.00 C ATOM 931 O MET A 57 9.417 -4.667 -0.612 1.00 0.00 O ATOM 932 CB MET A 57 9.711 -7.672 0.582 1.00 0.00 C ATOM 933 CG MET A 57 10.430 -6.611 1.423 1.00 0.00 C ATOM 934 SD MET A 57 9.245 -5.367 1.996 1.00 0.00 S ATOM 935 CE MET A 57 8.103 -6.496 2.829 1.00 0.00 C ATOM 0 H MET A 57 8.962 -8.911 -1.398 1.00 0.00 H new ATOM 0 HA MET A 57 7.922 -6.690 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.069 -8.278 1.222 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.442 -8.346 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.918 -7.081 2.277 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.212 -6.135 0.832 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.653 -5.992 3.684 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.321 -6.801 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.647 -7.376 3.171 1.00 0.00 H new ATOM 945 N ALA A 58 10.396 -6.034 -2.117 1.00 0.00 N ATOM 946 CA ALA A 58 11.139 -4.963 -2.775 1.00 0.00 C ATOM 947 C ALA A 58 10.174 -3.952 -3.384 1.00 0.00 C ATOM 948 O ALA A 58 10.389 -2.741 -3.309 1.00 0.00 O ATOM 949 CB ALA A 58 12.030 -5.548 -3.872 1.00 0.00 C ATOM 0 H ALA A 58 10.547 -6.960 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 58 11.761 -4.460 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.582 -4.744 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.733 -6.255 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.411 -6.062 -4.608 1.00 0.00 H new ATOM 955 N THR A 59 9.107 -4.471 -3.985 1.00 0.00 N ATOM 956 CA THR A 59 8.097 -3.628 -4.614 1.00 0.00 C ATOM 957 C THR A 59 7.247 -2.932 -3.555 1.00 0.00 C ATOM 958 O THR A 59 6.904 -1.761 -3.701 1.00 0.00 O ATOM 959 CB THR A 59 7.201 -4.481 -5.517 1.00 0.00 C ATOM 960 OG1 THR A 59 8.011 -5.212 -6.430 1.00 0.00 O ATOM 961 CG2 THR A 59 6.238 -3.580 -6.295 1.00 0.00 C ATOM 0 H THR A 59 8.920 -5.472 -4.049 1.00 0.00 H new ATOM 0 HA THR A 59 8.600 -2.869 -5.213 1.00 0.00 H new ATOM 0 HB THR A 59 6.625 -5.173 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.440 -5.760 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.604 -4.193 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.616 -3.022 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.808 -2.883 -6.909 1.00 0.00 H new ATOM 969 N PHE A 60 6.915 -3.659 -2.489 1.00 0.00 N ATOM 970 CA PHE A 60 6.106 -3.093 -1.413 1.00 0.00 C ATOM 971 C PHE A 60 6.794 -1.857 -0.838 1.00 0.00 C ATOM 972 O PHE A 60 6.183 -0.793 -0.721 1.00 0.00 O ATOM 973 CB PHE A 60 5.898 -4.138 -0.311 1.00 0.00 C ATOM 974 CG PHE A 60 5.204 -3.502 0.876 1.00 0.00 C ATOM 975 CD1 PHE A 60 3.907 -2.989 0.738 1.00 0.00 C ATOM 976 CD2 PHE A 60 5.858 -3.428 2.113 1.00 0.00 C ATOM 977 CE1 PHE A 60 3.266 -2.402 1.836 1.00 0.00 C ATOM 978 CE2 PHE A 60 5.216 -2.842 3.210 1.00 0.00 C ATOM 979 CZ PHE A 60 3.920 -2.329 3.072 1.00 0.00 C ATOM 0 H PHE A 60 7.191 -4.631 -2.349 1.00 0.00 H new ATOM 0 HA PHE A 60 5.135 -2.803 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.301 -4.967 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.858 -4.552 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.402 -3.046 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.857 -3.823 2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.267 -2.006 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.720 -2.785 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.425 -1.877 3.919 1.00 0.00 H new ATOM 989 N ASP A 61 8.073 -2.003 -0.498 1.00 0.00 N ATOM 990 CA ASP A 61 8.846 -0.891 0.042 1.00 0.00 C ATOM 991 C ASP A 61 8.786 0.298 -0.912 1.00 0.00 C ATOM 992 O ASP A 61 8.523 1.428 -0.500 1.00 0.00 O ATOM 993 CB ASP A 61 10.305 -1.320 0.241 1.00 0.00 C ATOM 994 CG ASP A 61 11.068 -0.291 1.084 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.531 0.779 1.327 1.00 0.00 O ATOM 996 OD2 ASP A 61 12.184 -0.592 1.470 1.00 0.00 O ATOM 0 H ASP A 61 8.592 -2.876 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 61 8.422 -0.599 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.338 -2.293 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.790 -1.434 -0.728 1.00 0.00 H new ATOM 1001 N GLU A 62 9.029 0.022 -2.192 1.00 0.00 N ATOM 1002 CA GLU A 62 9.004 1.063 -3.218 1.00 0.00 C ATOM 1003 C GLU A 62 7.601 1.647 -3.359 1.00 0.00 C ATOM 1004 O GLU A 62 7.440 2.854 -3.541 1.00 0.00 O ATOM 1005 CB GLU A 62 9.460 0.473 -4.557 1.00 0.00 C ATOM 1006 CG GLU A 62 9.140 1.447 -5.697 1.00 0.00 C ATOM 1007 CD GLU A 62 9.919 1.063 -6.954 1.00 0.00 C ATOM 1008 OE1 GLU A 62 10.024 -0.123 -7.228 1.00 0.00 O ATOM 1009 OE2 GLU A 62 10.398 1.961 -7.627 1.00 0.00 O ATOM 0 H GLU A 62 9.245 -0.911 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 62 9.682 1.864 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.531 0.272 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.962 -0.480 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.070 1.435 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.395 2.464 -5.399 1.00 0.00 H new ATOM 1016 N ALA A 63 6.589 0.788 -3.274 1.00 0.00 N ATOM 1017 CA ALA A 63 5.207 1.238 -3.393 1.00 0.00 C ATOM 1018 C ALA A 63 4.883 2.238 -2.287 1.00 0.00 C ATOM 1019 O ALA A 63 4.310 3.297 -2.542 1.00 0.00 O ATOM 1020 CB ALA A 63 4.253 0.044 -3.304 1.00 0.00 C ATOM 0 H ALA A 63 6.699 -0.215 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 63 5.081 1.723 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.224 0.393 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.471 -0.657 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.384 -0.456 -2.344 1.00 0.00 H new ATOM 1026 N TRP A 64 5.269 1.895 -1.058 1.00 0.00 N ATOM 1027 CA TRP A 64 5.032 2.769 0.085 1.00 0.00 C ATOM 1028 C TRP A 64 5.614 4.156 -0.178 1.00 0.00 C ATOM 1029 O TRP A 64 4.938 5.168 0.010 1.00 0.00 O ATOM 1030 CB TRP A 64 5.667 2.170 1.343 1.00 0.00 C ATOM 1031 CG TRP A 64 5.112 2.851 2.554 1.00 0.00 C ATOM 1032 CD1 TRP A 64 5.515 4.057 3.019 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.064 2.393 3.457 1.00 0.00 C ATOM 1034 NE1 TRP A 64 4.778 4.367 4.148 1.00 0.00 N ATOM 1035 CE2 TRP A 64 3.872 3.373 4.458 1.00 0.00 C ATOM 1036 CE3 TRP A 64 3.270 1.234 3.504 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 2.926 3.210 5.469 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 2.316 1.066 4.521 1.00 0.00 C ATOM 1039 CH2 TRP A 64 2.144 2.052 5.501 1.00 0.00 C ATOM 0 H TRP A 64 5.745 1.022 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 64 3.956 2.861 0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.466 1.100 1.390 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.750 2.290 1.309 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.285 4.675 2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.891 5.226 4.686 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.394 0.468 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.798 3.973 6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.712 0.171 4.548 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.408 1.918 6.280 1.00 0.00 H new ATOM 1050 N ASP A 65 6.872 4.189 -0.621 1.00 0.00 N ATOM 1051 CA ASP A 65 7.537 5.455 -0.916 1.00 0.00 C ATOM 1052 C ASP A 65 6.679 6.290 -1.861 1.00 0.00 C ATOM 1053 O ASP A 65 6.542 7.501 -1.687 1.00 0.00 O ATOM 1054 CB ASP A 65 8.906 5.195 -1.551 1.00 0.00 C ATOM 1055 CG ASP A 65 9.837 4.526 -0.542 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.109 5.136 0.479 1.00 0.00 O ATOM 1057 OD2 ASP A 65 10.266 3.414 -0.806 1.00 0.00 O ATOM 0 H ASP A 65 7.445 3.360 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 65 7.676 6.003 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.793 4.559 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.341 6.134 -1.891 1.00 0.00 H new ATOM 1062 N GLN A 66 6.094 5.624 -2.855 1.00 0.00 N ATOM 1063 CA GLN A 66 5.238 6.303 -3.822 1.00 0.00 C ATOM 1064 C GLN A 66 3.926 6.713 -3.158 1.00 0.00 C ATOM 1065 O GLN A 66 3.457 7.838 -3.332 1.00 0.00 O ATOM 1066 CB GLN A 66 4.951 5.376 -5.009 1.00 0.00 C ATOM 1067 CG GLN A 66 4.424 6.199 -6.191 1.00 0.00 C ATOM 1068 CD GLN A 66 5.585 6.776 -6.996 1.00 0.00 C ATOM 1069 OE1 GLN A 66 5.620 7.978 -7.264 1.00 0.00 O ATOM 1070 NE2 GLN A 66 6.544 5.988 -7.401 1.00 0.00 N ATOM 0 H GLN A 66 6.197 4.621 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 66 5.750 7.195 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.859 4.847 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.219 4.620 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.805 5.572 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.789 7.006 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.515 4.993 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.323 6.367 -7.940 1.00 0.00 H new ATOM 1079 N TYR A 67 3.344 5.791 -2.391 1.00 0.00 N ATOM 1080 CA TYR A 67 2.091 6.063 -1.694 1.00 0.00 C ATOM 1081 C TYR A 67 2.217 7.342 -0.873 1.00 0.00 C ATOM 1082 O TYR A 67 1.453 8.289 -1.056 1.00 0.00 O ATOM 1083 CB TYR A 67 1.738 4.883 -0.778 1.00 0.00 C ATOM 1084 CG TYR A 67 0.650 5.291 0.190 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -0.658 5.496 -0.269 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.949 5.466 1.547 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -1.662 5.877 0.627 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.056 5.846 2.442 1.00 0.00 C ATOM 1089 CZ TYR A 67 -1.361 6.051 1.982 1.00 0.00 C ATOM 1090 OH TYR A 67 -2.350 6.431 2.866 1.00 0.00 O ATOM 0 H TYR A 67 3.719 4.855 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 67 1.296 6.193 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.406 4.034 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.623 4.560 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.891 5.360 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.956 5.307 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.670 6.037 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.175 5.981 3.488 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.220 6.126 2.534 1.00 0.00 H new ATOM 1100 N GLU A 68 3.198 7.358 0.028 1.00 0.00 N ATOM 1101 CA GLU A 68 3.438 8.519 0.876 1.00 0.00 C ATOM 1102 C GLU A 68 3.612 9.777 0.031 1.00 0.00 C ATOM 1103 O GLU A 68 3.064 10.821 0.343 1.00 0.00 O ATOM 1104 CB GLU A 68 4.696 8.293 1.719 1.00 0.00 C ATOM 1105 CG GLU A 68 4.452 7.156 2.717 1.00 0.00 C ATOM 1106 CD GLU A 68 3.538 7.632 3.842 1.00 0.00 C ATOM 1107 OE1 GLU A 68 4.029 8.310 4.731 1.00 0.00 O ATOM 1108 OE2 GLU A 68 2.362 7.313 3.800 1.00 0.00 O ATOM 0 H GLU A 68 3.838 6.580 0.188 1.00 0.00 H new ATOM 0 HA GLU A 68 2.576 8.652 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.539 8.048 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.958 9.207 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.001 6.305 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.401 6.814 3.129 1.00 0.00 H new ATOM 1115 N SER A 69 4.385 9.669 -1.036 1.00 0.00 N ATOM 1116 CA SER A 69 4.634 10.809 -1.915 1.00 0.00 C ATOM 1117 C SER A 69 3.328 11.421 -2.427 1.00 0.00 C ATOM 1118 O SER A 69 3.265 12.624 -2.687 1.00 0.00 O ATOM 1119 CB SER A 69 5.485 10.367 -3.107 1.00 0.00 C ATOM 1120 OG SER A 69 5.993 11.514 -3.775 1.00 0.00 O ATOM 0 H SER A 69 4.852 8.807 -1.318 1.00 0.00 H new ATOM 0 HA SER A 69 5.163 11.566 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.307 9.737 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.886 9.768 -3.793 1.00 0.00 H new ATOM 0 HG SER A 69 6.540 11.233 -4.538 1.00 0.00 H new ATOM 1126 N GLU A 70 2.292 10.595 -2.578 1.00 0.00 N ATOM 1127 CA GLU A 70 1.003 11.086 -3.072 1.00 0.00 C ATOM 1128 C GLU A 70 0.172 11.684 -1.938 1.00 0.00 C ATOM 1129 O GLU A 70 -0.598 12.621 -2.150 1.00 0.00 O ATOM 1130 CB GLU A 70 0.222 9.937 -3.719 1.00 0.00 C ATOM 1131 CG GLU A 70 1.130 9.172 -4.688 1.00 0.00 C ATOM 1132 CD GLU A 70 0.718 9.453 -6.131 1.00 0.00 C ATOM 1133 OE1 GLU A 70 1.169 10.449 -6.671 1.00 0.00 O ATOM 1134 OE2 GLU A 70 -0.042 8.668 -6.675 1.00 0.00 O ATOM 0 H GLU A 70 2.317 9.597 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 70 1.198 11.864 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.154 9.263 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.645 10.329 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.168 9.467 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.070 8.102 -4.487 1.00 0.00 H new ATOM 1141 N VAL A 71 0.350 11.148 -0.736 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.369 11.643 0.437 1.00 0.00 C ATOM 1143 C VAL A 71 0.478 12.702 1.131 1.00 0.00 C ATOM 1144 O VAL A 71 0.037 13.829 1.364 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.671 10.491 1.403 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -1.781 10.910 2.372 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -1.126 9.260 0.608 1.00 0.00 C ATOM 0 H VAL A 71 0.984 10.372 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.316 12.082 0.122 1.00 0.00 H new ATOM 0 HB VAL A 71 0.230 10.248 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.994 10.090 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.458 11.783 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.682 11.156 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.340 8.442 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.025 9.504 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.336 8.959 -0.080 1.00 0.00 H new ATOM 1157 N HIS A 72 1.707 12.312 1.441 1.00 0.00 N ATOM 1158 CA HIS A 72 2.670 13.184 2.098 1.00 0.00 C ATOM 1159 C HIS A 72 3.136 14.284 1.141 1.00 0.00 C ATOM 1160 O HIS A 72 4.019 15.075 1.475 1.00 0.00 O ATOM 1161 CB HIS A 72 3.879 12.347 2.538 1.00 0.00 C ATOM 1162 CG HIS A 72 4.521 12.974 3.748 1.00 0.00 C ATOM 1163 ND1 HIS A 72 5.006 14.273 3.738 1.00 0.00 N ATOM 1164 CD2 HIS A 72 4.762 12.495 5.012 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.511 14.528 4.958 1.00 0.00 C ATOM 1166 NE2 HIS A 72 5.389 13.477 5.773 1.00 0.00 N ATOM 0 H HIS A 72 2.065 11.378 1.243 1.00 0.00 H new ATOM 0 HA HIS A 72 2.198 13.650 2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.564 11.329 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.602 12.280 1.725 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.984 14.918 2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.504 11.506 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.960 15.468 5.244 1.00 0.00 H new ATOM 1175 N GLY A 73 2.533 14.332 -0.048 1.00 0.00 N ATOM 1176 CA GLY A 73 2.889 15.343 -1.042 1.00 0.00 C ATOM 1177 C GLY A 73 2.613 16.752 -0.518 1.00 0.00 C ATOM 1178 O GLY A 73 2.868 17.741 -1.207 1.00 0.00 O ATOM 0 H GLY A 73 1.801 13.687 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.944 15.248 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.321 15.174 -1.957 1.00 0.00 H new