USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 80 LYS NZ :NH3+ -177:sc= 0.0196 (180deg=-0.203) USER MOD Set 1.2: A 96 SER OG : rot 120:sc= 0.237 USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0.0245 USER MOD Set 2.2: A 79 TYR OH : rot 29:sc= 1.35 USER MOD Set 3.1: A 28 ASN :FLIP amide:sc= -2.95 F(o=-8!,f=-6.3) USER MOD Set 3.2: A 34 SER OG : rot 65:sc= -0.516 USER MOD Set 3.3: A 66 MET CE :methyl 174:sc= -2.79! (180deg=-2.82!) USER MOD Set 4.1: A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3.6!) USER MOD Single : A 1 HIS N :NH3+ 137:sc= 0.0858 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.45 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -46:sc= 0.934 USER MOD Single : A 32 GLN : amide:sc= -2.96! C(o=-3!,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -68:sc= 0.627 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0803 USER MOD Single : A 78 THR OG1 : rot 28:sc= -2.67 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 98 THR OG1 : rot 30:sc= 0.0713 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 10.267 12.413 -7.096 1.00 9.02 N ATOM 2 CA HIS A 1 10.808 11.977 -5.819 1.00 7.74 C ATOM 3 C HIS A 1 11.202 10.500 -5.907 1.00 6.13 C ATOM 4 O HIS A 1 10.896 9.830 -6.892 1.00 6.27 O ATOM 5 CB HIS A 1 9.821 12.261 -4.685 1.00 8.47 C ATOM 6 CG HIS A 1 10.254 13.372 -3.759 1.00 9.21 C ATOM 7 ND1 HIS A 1 11.557 13.836 -3.702 1.00 9.43 N ATOM 8 CD2 HIS A 1 9.544 14.105 -2.855 1.00 10.18 C ATOM 9 CE1 HIS A 1 11.616 14.806 -2.801 1.00 10.38 C ATOM 10 NE2 HIS A 1 10.369 14.970 -2.277 1.00 10.83 N ATOM 0 H1 HIS A 1 9.423 12.999 -6.934 1.00 9.02 H new ATOM 0 H2 HIS A 1 10.983 12.970 -7.604 1.00 9.02 H new ATOM 0 H3 HIS A 1 10.007 11.582 -7.665 1.00 9.02 H new ATOM 0 HA HIS A 1 11.709 12.545 -5.588 1.00 7.74 H new ATOM 0 HB2 HIS A 1 8.853 12.517 -5.115 1.00 8.47 H new ATOM 0 HB3 HIS A 1 9.680 11.350 -4.103 1.00 8.47 H new ATOM 0 HD2 HIS A 1 8.490 14.000 -2.645 1.00 10.18 H new ATOM 0 HE1 HIS A 1 12.498 15.368 -2.530 1.00 10.38 H new ATOM 0 HE2 HIS A 1 10.111 15.646 -1.558 1.00 10.83 H new ATOM 20 N PRO A 2 11.892 10.025 -4.836 1.00 5.10 N ATOM 21 CA PRO A 2 12.330 8.641 -4.783 1.00 3.92 C ATOM 22 C PRO A 2 11.156 7.705 -4.486 1.00 3.11 C ATOM 23 O PRO A 2 10.593 7.737 -3.392 1.00 3.08 O ATOM 24 CB PRO A 2 13.402 8.609 -3.705 1.00 4.19 C ATOM 25 CG PRO A 2 13.198 9.867 -2.877 1.00 5.22 C ATOM 26 CD PRO A 2 12.270 10.790 -3.651 1.00 5.77 C ATOM 0 HA PRO A 2 12.729 8.289 -5.734 1.00 3.92 H new ATOM 0 HB2 PRO A 2 13.308 7.716 -3.088 1.00 4.19 H new ATOM 0 HB3 PRO A 2 14.399 8.589 -4.146 1.00 4.19 H new ATOM 0 HG2 PRO A 2 12.768 9.620 -1.907 1.00 5.22 H new ATOM 0 HG3 PRO A 2 14.153 10.358 -2.687 1.00 5.22 H new ATOM 0 HD2 PRO A 2 11.396 11.061 -3.059 1.00 5.77 H new ATOM 0 HD3 PRO A 2 12.771 11.719 -3.922 1.00 5.77 H new ATOM 34 N LYS A 3 10.823 6.893 -5.478 1.00 2.60 N ATOM 35 CA LYS A 3 9.726 5.951 -5.338 1.00 1.92 C ATOM 36 C LYS A 3 10.079 4.652 -6.066 1.00 1.37 C ATOM 37 O LYS A 3 10.964 4.637 -6.921 1.00 1.57 O ATOM 38 CB LYS A 3 8.413 6.581 -5.805 1.00 2.31 C ATOM 39 CG LYS A 3 7.918 7.626 -4.802 1.00 2.89 C ATOM 40 CD LYS A 3 6.415 7.478 -4.554 1.00 3.88 C ATOM 41 CE LYS A 3 5.946 8.428 -3.450 1.00 5.01 C ATOM 42 NZ LYS A 3 4.756 9.188 -3.892 1.00 5.88 N ATOM 0 H LYS A 3 11.294 6.868 -6.382 1.00 2.60 H new ATOM 0 HA LYS A 3 9.574 5.698 -4.289 1.00 1.92 H new ATOM 0 HB2 LYS A 3 8.556 7.047 -6.780 1.00 2.31 H new ATOM 0 HB3 LYS A 3 7.658 5.805 -5.930 1.00 2.31 H new ATOM 0 HG2 LYS A 3 8.458 7.517 -3.861 1.00 2.89 H new ATOM 0 HG3 LYS A 3 8.132 8.626 -5.178 1.00 2.89 H new ATOM 0 HD2 LYS A 3 5.869 7.686 -5.474 1.00 3.88 H new ATOM 0 HD3 LYS A 3 6.188 6.449 -4.274 1.00 3.88 H new ATOM 0 HE2 LYS A 3 5.709 7.860 -2.550 1.00 5.01 H new ATOM 0 HE3 LYS A 3 6.749 9.117 -3.190 1.00 5.01 H new ATOM 0 HZ1 LYS A 3 4.451 9.828 -3.131 1.00 5.88 H new ATOM 0 HZ2 LYS A 3 4.994 9.744 -4.738 1.00 5.88 H new ATOM 0 HZ3 LYS A 3 3.986 8.527 -4.118 1.00 5.88 H new ATOM 56 N LEU A 4 9.368 3.595 -5.703 1.00 0.88 N ATOM 57 CA LEU A 4 9.595 2.295 -6.312 1.00 0.66 C ATOM 58 C LEU A 4 9.495 2.425 -7.834 1.00 0.58 C ATOM 59 O LEU A 4 9.162 3.492 -8.348 1.00 0.63 O ATOM 60 CB LEU A 4 8.644 1.253 -5.719 1.00 0.85 C ATOM 61 CG LEU A 4 7.168 1.400 -6.098 1.00 0.54 C ATOM 62 CD1 LEU A 4 6.793 2.872 -6.276 1.00 0.72 C ATOM 63 CD2 LEU A 4 6.835 0.569 -7.338 1.00 0.51 C ATOM 0 H LEU A 4 8.634 3.612 -4.995 1.00 0.88 H new ATOM 0 HA LEU A 4 10.601 1.939 -6.088 1.00 0.66 H new ATOM 0 HB2 LEU A 4 8.982 0.264 -6.029 1.00 0.85 H new ATOM 0 HB3 LEU A 4 8.725 1.292 -4.633 1.00 0.85 H new ATOM 0 HG LEU A 4 6.564 1.010 -5.279 1.00 0.54 H new ATOM 0 HD11 LEU A 4 5.740 2.949 -6.545 1.00 0.72 H new ATOM 0 HD12 LEU A 4 6.970 3.408 -5.343 1.00 0.72 H new ATOM 0 HD13 LEU A 4 7.402 3.310 -7.067 1.00 0.72 H new ATOM 0 HD21 LEU A 4 5.781 0.691 -7.586 1.00 0.51 H new ATOM 0 HD22 LEU A 4 7.446 0.905 -8.176 1.00 0.51 H new ATOM 0 HD23 LEU A 4 7.041 -0.482 -7.137 1.00 0.51 H new ATOM 75 N VAL A 5 9.790 1.325 -8.509 1.00 0.53 N ATOM 76 CA VAL A 5 9.737 1.303 -9.962 1.00 0.53 C ATOM 77 C VAL A 5 8.361 1.784 -10.425 1.00 0.50 C ATOM 78 O VAL A 5 8.216 2.918 -10.878 1.00 0.61 O ATOM 79 CB VAL A 5 10.087 -0.096 -10.476 1.00 0.55 C ATOM 80 CG1 VAL A 5 9.805 -0.215 -11.975 1.00 0.67 C ATOM 81 CG2 VAL A 5 11.542 -0.447 -10.163 1.00 0.65 C ATOM 0 H VAL A 5 10.066 0.443 -8.078 1.00 0.53 H new ATOM 0 HA VAL A 5 10.477 1.984 -10.383 1.00 0.53 H new ATOM 0 HB VAL A 5 9.451 -0.813 -9.957 1.00 0.55 H new ATOM 0 HG11 VAL A 5 10.062 -1.218 -12.315 1.00 0.67 H new ATOM 0 HG12 VAL A 5 8.748 -0.028 -12.162 1.00 0.67 H new ATOM 0 HG13 VAL A 5 10.404 0.517 -12.517 1.00 0.67 H new ATOM 0 HG21 VAL A 5 11.764 -1.446 -10.539 1.00 0.65 H new ATOM 0 HG22 VAL A 5 12.202 0.276 -10.642 1.00 0.65 H new ATOM 0 HG23 VAL A 5 11.698 -0.422 -9.085 1.00 0.65 H new ATOM 91 N SER A 6 7.386 0.896 -10.297 1.00 0.42 N ATOM 92 CA SER A 6 6.025 1.216 -10.697 1.00 0.40 C ATOM 93 C SER A 6 5.031 0.401 -9.869 1.00 0.36 C ATOM 94 O SER A 6 5.346 -0.700 -9.421 1.00 0.36 O ATOM 95 CB SER A 6 5.815 0.953 -12.190 1.00 0.43 C ATOM 96 OG SER A 6 6.943 1.345 -12.966 1.00 0.54 O ATOM 0 H SER A 6 7.511 -0.044 -9.922 1.00 0.42 H new ATOM 0 HA SER A 6 5.855 2.277 -10.515 1.00 0.40 H new ATOM 0 HB2 SER A 6 5.618 -0.108 -12.347 1.00 0.43 H new ATOM 0 HB3 SER A 6 4.933 1.495 -12.533 1.00 0.43 H new ATOM 0 HG SER A 6 6.769 1.159 -13.912 1.00 0.54 H new ATOM 102 N SER A 7 3.849 0.973 -9.690 1.00 0.34 N ATOM 103 CA SER A 7 2.806 0.313 -8.923 1.00 0.32 C ATOM 104 C SER A 7 1.436 0.868 -9.317 1.00 0.33 C ATOM 105 O SER A 7 1.347 1.924 -9.942 1.00 0.36 O ATOM 106 CB SER A 7 3.035 0.486 -7.419 1.00 0.31 C ATOM 107 OG SER A 7 3.137 1.859 -7.049 1.00 0.35 O ATOM 0 H SER A 7 3.591 1.886 -10.063 1.00 0.34 H new ATOM 0 HA SER A 7 2.838 -0.753 -9.149 1.00 0.32 H new ATOM 0 HB2 SER A 7 2.214 0.023 -6.872 1.00 0.31 H new ATOM 0 HB3 SER A 7 3.946 -0.036 -7.129 1.00 0.31 H new ATOM 0 HG SER A 7 3.281 1.927 -6.082 1.00 0.35 H new ATOM 113 N THR A 8 0.403 0.131 -8.938 1.00 0.34 N ATOM 114 CA THR A 8 -0.958 0.535 -9.245 1.00 0.37 C ATOM 115 C THR A 8 -1.866 0.314 -8.034 1.00 0.36 C ATOM 116 O THR A 8 -2.837 -0.439 -8.111 1.00 0.39 O ATOM 117 CB THR A 8 -1.409 -0.230 -10.491 1.00 0.42 C ATOM 118 OG1 THR A 8 -0.893 0.537 -11.576 1.00 0.82 O ATOM 119 CG2 THR A 8 -2.926 -0.183 -10.690 1.00 0.57 C ATOM 0 H THR A 8 0.481 -0.745 -8.421 1.00 0.34 H new ATOM 0 HA THR A 8 -1.014 1.601 -9.463 1.00 0.37 H new ATOM 0 HB THR A 8 -1.084 -1.268 -10.416 1.00 0.42 H new ATOM 0 HG1 THR A 8 -1.138 0.111 -12.424 1.00 0.82 H new ATOM 0 HG21 THR A 8 -3.193 -0.741 -11.588 1.00 0.57 H new ATOM 0 HG22 THR A 8 -3.420 -0.628 -9.826 1.00 0.57 H new ATOM 0 HG23 THR A 8 -3.247 0.853 -10.798 1.00 0.57 H new ATOM 127 N PRO A 9 -1.511 0.999 -6.916 1.00 0.34 N ATOM 128 CA PRO A 9 -2.282 0.885 -5.689 1.00 0.36 C ATOM 129 C PRO A 9 -3.594 1.666 -5.793 1.00 0.39 C ATOM 130 O PRO A 9 -4.660 1.077 -5.966 1.00 0.55 O ATOM 131 CB PRO A 9 -1.364 1.408 -4.596 1.00 0.35 C ATOM 132 CG PRO A 9 -0.295 2.223 -5.305 1.00 0.33 C ATOM 133 CD PRO A 9 -0.367 1.900 -6.788 1.00 0.33 C ATOM 0 HA PRO A 9 -2.586 -0.140 -5.477 1.00 0.36 H new ATOM 0 HB2 PRO A 9 -1.915 2.022 -3.884 1.00 0.35 H new ATOM 0 HB3 PRO A 9 -0.920 0.587 -4.033 1.00 0.35 H new ATOM 0 HG2 PRO A 9 -0.455 3.288 -5.139 1.00 0.33 H new ATOM 0 HG3 PRO A 9 0.692 1.983 -4.910 1.00 0.33 H new ATOM 0 HD2 PRO A 9 -0.505 2.802 -7.384 1.00 0.33 H new ATOM 0 HD3 PRO A 9 0.551 1.426 -7.135 1.00 0.33 H new ATOM 141 N ALA A 10 -3.473 2.980 -5.682 1.00 0.34 N ATOM 142 CA ALA A 10 -4.635 3.849 -5.761 1.00 0.38 C ATOM 143 C ALA A 10 -4.188 5.306 -5.640 1.00 0.35 C ATOM 144 O ALA A 10 -4.784 6.082 -4.893 1.00 0.35 O ATOM 145 CB ALA A 10 -5.642 3.455 -4.677 1.00 0.40 C ATOM 0 H ALA A 10 -2.587 3.465 -5.538 1.00 0.34 H new ATOM 0 HA ALA A 10 -5.132 3.737 -6.724 1.00 0.38 H new ATOM 0 HB1 ALA A 10 -6.514 4.107 -4.736 1.00 0.40 H new ATOM 0 HB2 ALA A 10 -5.951 2.421 -4.827 1.00 0.40 H new ATOM 0 HB3 ALA A 10 -5.179 3.557 -3.696 1.00 0.40 H new ATOM 151 N GLU A 11 -3.142 5.635 -6.384 1.00 0.38 N ATOM 152 CA GLU A 11 -2.608 6.986 -6.368 1.00 0.43 C ATOM 153 C GLU A 11 -3.747 8.008 -6.355 1.00 0.47 C ATOM 154 O GLU A 11 -4.384 8.245 -7.380 1.00 0.55 O ATOM 155 CB GLU A 11 -1.675 7.221 -7.557 1.00 0.54 C ATOM 156 CG GLU A 11 -0.209 7.165 -7.124 1.00 0.54 C ATOM 157 CD GLU A 11 0.628 6.361 -8.120 1.00 1.11 C ATOM 158 OE1 GLU A 11 0.231 6.212 -9.286 1.00 1.94 O ATOM 159 OE2 GLU A 11 1.728 5.882 -7.647 1.00 1.85 O ATOM 0 H GLU A 11 -2.650 4.989 -7.002 1.00 0.38 H new ATOM 0 HA GLU A 11 -2.022 7.113 -5.458 1.00 0.43 H new ATOM 0 HB2 GLU A 11 -1.860 6.468 -8.323 1.00 0.54 H new ATOM 0 HB3 GLU A 11 -1.889 8.191 -8.005 1.00 0.54 H new ATOM 0 HG2 GLU A 11 0.189 8.177 -7.043 1.00 0.54 H new ATOM 0 HG3 GLU A 11 -0.136 6.714 -6.135 1.00 0.54 H new ATOM 166 N GLY A 12 -3.969 8.584 -5.184 1.00 0.44 N ATOM 167 CA GLY A 12 -5.020 9.575 -5.024 1.00 0.50 C ATOM 168 C GLY A 12 -6.318 9.109 -5.687 1.00 0.60 C ATOM 169 O GLY A 12 -7.039 9.911 -6.279 1.00 0.78 O ATOM 0 H GLY A 12 -3.439 8.384 -4.336 1.00 0.44 H new ATOM 0 HA2 GLY A 12 -5.194 9.758 -3.964 1.00 0.50 H new ATOM 0 HA3 GLY A 12 -4.703 10.521 -5.463 1.00 0.50 H new ATOM 173 N SER A 13 -6.575 7.815 -5.567 1.00 0.54 N ATOM 174 CA SER A 13 -7.773 7.233 -6.148 1.00 0.65 C ATOM 175 C SER A 13 -9.006 7.672 -5.355 1.00 0.58 C ATOM 176 O SER A 13 -9.341 7.067 -4.337 1.00 0.58 O ATOM 177 CB SER A 13 -7.682 5.707 -6.186 1.00 0.85 C ATOM 178 OG SER A 13 -8.626 5.137 -7.087 1.00 1.84 O ATOM 0 H SER A 13 -5.974 7.153 -5.076 1.00 0.54 H new ATOM 0 HA SER A 13 -7.863 7.590 -7.174 1.00 0.65 H new ATOM 0 HB2 SER A 13 -6.675 5.411 -6.481 1.00 0.85 H new ATOM 0 HB3 SER A 13 -7.850 5.309 -5.185 1.00 0.85 H new ATOM 0 HG SER A 13 -8.534 4.161 -7.083 1.00 1.84 H new ATOM 184 N GLU A 14 -9.648 8.719 -5.850 1.00 0.62 N ATOM 185 CA GLU A 14 -10.836 9.245 -5.200 1.00 0.70 C ATOM 186 C GLU A 14 -12.083 8.909 -6.021 1.00 0.82 C ATOM 187 O GLU A 14 -12.131 9.175 -7.221 1.00 0.89 O ATOM 188 CB GLU A 14 -10.717 10.754 -4.977 1.00 0.89 C ATOM 189 CG GLU A 14 -9.354 11.115 -4.383 1.00 0.93 C ATOM 190 CD GLU A 14 -9.020 12.588 -4.630 1.00 1.21 C ATOM 191 OE1 GLU A 14 -9.921 13.386 -4.925 1.00 1.30 O ATOM 192 OE2 GLU A 14 -7.773 12.892 -4.505 1.00 1.94 O ATOM 0 H GLU A 14 -9.368 9.218 -6.694 1.00 0.62 H new ATOM 0 HA GLU A 14 -10.930 8.773 -4.222 1.00 0.70 H new ATOM 0 HB2 GLU A 14 -10.855 11.277 -5.923 1.00 0.89 H new ATOM 0 HB3 GLU A 14 -11.510 11.090 -4.308 1.00 0.89 H new ATOM 0 HG2 GLU A 14 -9.355 10.914 -3.312 1.00 0.93 H new ATOM 0 HG3 GLU A 14 -8.582 10.485 -4.825 1.00 0.93 H new ATOM 199 N GLY A 15 -13.060 8.328 -5.341 1.00 0.90 N ATOM 200 CA GLY A 15 -14.304 7.953 -5.992 1.00 1.11 C ATOM 201 C GLY A 15 -14.861 6.655 -5.405 1.00 0.76 C ATOM 202 O GLY A 15 -16.052 6.563 -5.112 1.00 0.65 O ATOM 0 H GLY A 15 -13.016 8.108 -4.346 1.00 0.90 H new ATOM 0 HA2 GLY A 15 -15.035 8.753 -5.874 1.00 1.11 H new ATOM 0 HA3 GLY A 15 -14.136 7.830 -7.062 1.00 1.11 H new ATOM 206 N ALA A 16 -13.973 5.684 -5.248 1.00 0.84 N ATOM 207 CA ALA A 16 -14.361 4.396 -4.700 1.00 0.78 C ATOM 208 C ALA A 16 -13.104 3.607 -4.327 1.00 1.15 C ATOM 209 O ALA A 16 -11.998 3.968 -4.725 1.00 1.83 O ATOM 210 CB ALA A 16 -15.237 3.654 -5.712 1.00 0.97 C ATOM 0 H ALA A 16 -12.986 5.764 -5.491 1.00 0.84 H new ATOM 0 HA ALA A 16 -14.950 4.526 -3.792 1.00 0.78 H new ATOM 0 HB1 ALA A 16 -15.528 2.687 -5.301 1.00 0.97 H new ATOM 0 HB2 ALA A 16 -16.130 4.243 -5.922 1.00 0.97 H new ATOM 0 HB3 ALA A 16 -14.678 3.502 -6.635 1.00 0.97 H new ATOM 216 N ALA A 17 -13.317 2.542 -3.566 1.00 0.83 N ATOM 217 CA ALA A 17 -12.215 1.699 -3.134 1.00 1.13 C ATOM 218 C ALA A 17 -11.818 0.763 -4.276 1.00 0.98 C ATOM 219 O ALA A 17 -12.678 0.185 -4.940 1.00 0.92 O ATOM 220 CB ALA A 17 -12.620 0.937 -1.871 1.00 1.42 C ATOM 0 H ALA A 17 -14.236 2.244 -3.238 1.00 0.83 H new ATOM 0 HA ALA A 17 -11.343 2.304 -2.885 1.00 1.13 H new ATOM 0 HB1 ALA A 17 -11.794 0.305 -1.547 1.00 1.42 H new ATOM 0 HB2 ALA A 17 -12.865 1.647 -1.081 1.00 1.42 H new ATOM 0 HB3 ALA A 17 -13.490 0.316 -2.084 1.00 1.42 H new ATOM 226 N PRO A 18 -10.478 0.638 -4.478 1.00 0.98 N ATOM 227 CA PRO A 18 -9.955 -0.219 -5.529 1.00 0.91 C ATOM 228 C PRO A 18 -10.070 -1.694 -5.142 1.00 0.83 C ATOM 229 O PRO A 18 -10.019 -2.036 -3.961 1.00 1.25 O ATOM 230 CB PRO A 18 -8.518 0.234 -5.727 1.00 1.01 C ATOM 231 CG PRO A 18 -8.148 1.004 -4.470 1.00 1.12 C ATOM 232 CD PRO A 18 -9.430 1.306 -3.713 1.00 1.11 C ATOM 0 HA PRO A 18 -10.517 -0.135 -6.459 1.00 0.91 H new ATOM 0 HB2 PRO A 18 -7.856 -0.620 -5.872 1.00 1.01 H new ATOM 0 HB3 PRO A 18 -8.425 0.863 -6.612 1.00 1.01 H new ATOM 0 HG2 PRO A 18 -7.468 0.419 -3.851 1.00 1.12 H new ATOM 0 HG3 PRO A 18 -7.630 1.928 -4.727 1.00 1.12 H new ATOM 0 HD2 PRO A 18 -9.385 0.929 -2.691 1.00 1.11 H new ATOM 0 HD3 PRO A 18 -9.609 2.379 -3.650 1.00 1.11 H new ATOM 240 N ALA A 19 -10.224 -2.530 -6.158 1.00 0.63 N ATOM 241 CA ALA A 19 -10.345 -3.961 -5.939 1.00 0.64 C ATOM 242 C ALA A 19 -9.124 -4.460 -5.163 1.00 0.55 C ATOM 243 O ALA A 19 -9.265 -5.078 -4.109 1.00 0.54 O ATOM 244 CB ALA A 19 -10.512 -4.671 -7.284 1.00 0.77 C ATOM 0 H ALA A 19 -10.268 -2.243 -7.136 1.00 0.63 H new ATOM 0 HA ALA A 19 -11.228 -4.184 -5.341 1.00 0.64 H new ATOM 0 HB1 ALA A 19 -10.603 -5.745 -7.120 1.00 0.77 H new ATOM 0 HB2 ALA A 19 -11.410 -4.303 -7.781 1.00 0.77 H new ATOM 0 HB3 ALA A 19 -9.643 -4.472 -7.911 1.00 0.77 H new ATOM 250 N LYS A 20 -7.955 -4.173 -5.716 1.00 0.53 N ATOM 251 CA LYS A 20 -6.711 -4.586 -5.089 1.00 0.48 C ATOM 252 C LYS A 20 -5.582 -3.661 -5.549 1.00 0.45 C ATOM 253 O LYS A 20 -5.607 -3.156 -6.671 1.00 0.52 O ATOM 254 CB LYS A 20 -6.440 -6.068 -5.358 1.00 0.54 C ATOM 255 CG LYS A 20 -6.585 -6.390 -6.846 1.00 0.73 C ATOM 256 CD LYS A 20 -5.219 -6.435 -7.533 1.00 2.03 C ATOM 257 CE LYS A 20 -5.372 -6.535 -9.052 1.00 2.49 C ATOM 258 NZ LYS A 20 -5.538 -5.191 -9.647 1.00 4.22 N ATOM 0 H LYS A 20 -7.843 -3.660 -6.590 1.00 0.53 H new ATOM 0 HA LYS A 20 -6.781 -4.491 -4.005 1.00 0.48 H new ATOM 0 HB2 LYS A 20 -5.435 -6.324 -5.023 1.00 0.54 H new ATOM 0 HB3 LYS A 20 -7.134 -6.679 -4.781 1.00 0.54 H new ATOM 0 HG2 LYS A 20 -7.088 -7.349 -6.967 1.00 0.73 H new ATOM 0 HG3 LYS A 20 -7.212 -5.638 -7.325 1.00 0.73 H new ATOM 0 HD2 LYS A 20 -4.651 -5.540 -7.279 1.00 2.03 H new ATOM 0 HD3 LYS A 20 -4.650 -7.289 -7.164 1.00 2.03 H new ATOM 0 HE2 LYS A 20 -4.496 -7.023 -9.480 1.00 2.49 H new ATOM 0 HE3 LYS A 20 -6.234 -7.156 -9.296 1.00 2.49 H new ATOM 0 HZ1 LYS A 20 -5.640 -5.278 -10.678 1.00 4.22 H new ATOM 0 HZ2 LYS A 20 -6.387 -4.739 -9.252 1.00 4.22 H new ATOM 0 HZ3 LYS A 20 -4.703 -4.610 -9.430 1.00 4.22 H new ATOM 272 N ILE A 21 -4.619 -3.467 -4.660 1.00 0.43 N ATOM 273 CA ILE A 21 -3.483 -2.612 -4.962 1.00 0.41 C ATOM 274 C ILE A 21 -2.423 -3.424 -5.709 1.00 0.39 C ATOM 275 O ILE A 21 -2.239 -4.609 -5.437 1.00 0.40 O ATOM 276 CB ILE A 21 -2.962 -1.944 -3.687 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.708 -0.639 -3.408 1.00 0.44 C ATOM 278 CG2 ILE A 21 -1.448 -1.738 -3.757 1.00 0.41 C ATOM 279 CD1 ILE A 21 -4.520 -0.736 -2.115 1.00 0.49 C ATOM 0 H ILE A 21 -4.602 -3.887 -3.731 1.00 0.43 H new ATOM 0 HA ILE A 21 -3.783 -1.798 -5.621 1.00 0.41 H new ATOM 0 HB ILE A 21 -3.157 -2.610 -2.847 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -2.995 0.182 -3.333 1.00 0.44 H new ATOM 0 HG13 ILE A 21 -4.372 -0.410 -4.242 1.00 0.44 H new ATOM 0 HG21 ILE A 21 -1.103 -1.262 -2.839 1.00 0.41 H new ATOM 0 HG22 ILE A 21 -0.954 -2.703 -3.873 1.00 0.41 H new ATOM 0 HG23 ILE A 21 -1.206 -1.102 -4.609 1.00 0.41 H new ATOM 0 HD11 ILE A 21 -5.040 0.206 -1.941 1.00 0.49 H new ATOM 0 HD12 ILE A 21 -5.248 -1.542 -2.202 1.00 0.49 H new ATOM 0 HD13 ILE A 21 -3.851 -0.941 -1.279 1.00 0.49 H new ATOM 291 N GLU A 22 -1.755 -2.753 -6.635 1.00 0.38 N ATOM 292 CA GLU A 22 -0.718 -3.397 -7.424 1.00 0.37 C ATOM 293 C GLU A 22 0.636 -2.736 -7.161 1.00 0.35 C ATOM 294 O GLU A 22 0.704 -1.541 -6.878 1.00 0.34 O ATOM 295 CB GLU A 22 -1.063 -3.366 -8.914 1.00 0.39 C ATOM 296 CG GLU A 22 -1.153 -4.782 -9.485 1.00 0.44 C ATOM 297 CD GLU A 22 -1.344 -4.750 -11.004 1.00 1.01 C ATOM 298 OE1 GLU A 22 -0.938 -3.779 -11.659 1.00 1.67 O ATOM 299 OE2 GLU A 22 -1.938 -5.781 -11.500 1.00 1.78 O ATOM 0 H GLU A 22 -1.911 -1.770 -6.857 1.00 0.38 H new ATOM 0 HA GLU A 22 -0.655 -4.442 -7.121 1.00 0.37 H new ATOM 0 HB2 GLU A 22 -2.012 -2.850 -9.061 1.00 0.39 H new ATOM 0 HB3 GLU A 22 -0.305 -2.799 -9.455 1.00 0.39 H new ATOM 0 HG2 GLU A 22 -0.246 -5.335 -9.241 1.00 0.44 H new ATOM 0 HG3 GLU A 22 -1.985 -5.313 -9.021 1.00 0.44 H new ATOM 306 N LEU A 23 1.682 -3.543 -7.264 1.00 0.35 N ATOM 307 CA LEU A 23 3.031 -3.051 -7.041 1.00 0.35 C ATOM 308 C LEU A 23 4.004 -3.818 -7.939 1.00 0.36 C ATOM 309 O LEU A 23 3.829 -5.012 -8.173 1.00 0.39 O ATOM 310 CB LEU A 23 3.386 -3.116 -5.554 1.00 0.38 C ATOM 311 CG LEU A 23 2.422 -2.404 -4.602 1.00 0.38 C ATOM 312 CD1 LEU A 23 2.527 -2.975 -3.187 1.00 0.43 C ATOM 313 CD2 LEU A 23 2.645 -0.890 -4.627 1.00 0.38 C ATOM 0 H LEU A 23 1.623 -4.534 -7.499 1.00 0.35 H new ATOM 0 HA LEU A 23 3.103 -1.999 -7.317 1.00 0.35 H new ATOM 0 HB2 LEU A 23 3.447 -4.164 -5.261 1.00 0.38 H new ATOM 0 HB3 LEU A 23 4.380 -2.689 -5.419 1.00 0.38 H new ATOM 0 HG LEU A 23 1.404 -2.586 -4.948 1.00 0.38 H new ATOM 0 HD11 LEU A 23 1.832 -2.451 -2.531 1.00 0.43 H new ATOM 0 HD12 LEU A 23 2.281 -4.037 -3.204 1.00 0.43 H new ATOM 0 HD13 LEU A 23 3.544 -2.844 -2.816 1.00 0.43 H new ATOM 0 HD21 LEU A 23 1.947 -0.408 -3.942 1.00 0.38 H new ATOM 0 HD22 LEU A 23 3.667 -0.668 -4.320 1.00 0.38 H new ATOM 0 HD23 LEU A 23 2.480 -0.515 -5.637 1.00 0.38 H new ATOM 325 N HIS A 24 5.009 -3.099 -8.418 1.00 0.37 N ATOM 326 CA HIS A 24 6.009 -3.696 -9.286 1.00 0.41 C ATOM 327 C HIS A 24 7.402 -3.226 -8.863 1.00 0.42 C ATOM 328 O HIS A 24 7.565 -2.103 -8.389 1.00 0.43 O ATOM 329 CB HIS A 24 5.703 -3.397 -10.755 1.00 0.42 C ATOM 330 CG HIS A 24 4.626 -4.272 -11.349 1.00 0.45 C ATOM 331 ND1 HIS A 24 4.889 -5.510 -11.910 1.00 0.52 N ATOM 332 CD2 HIS A 24 3.281 -4.077 -11.462 1.00 0.49 C ATOM 333 CE1 HIS A 24 3.747 -6.027 -12.339 1.00 0.54 C ATOM 334 NE2 HIS A 24 2.751 -5.137 -12.061 1.00 0.52 N ATOM 0 H HIS A 24 5.152 -2.108 -8.221 1.00 0.37 H new ATOM 0 HA HIS A 24 5.983 -4.781 -9.184 1.00 0.41 H new ATOM 0 HB2 HIS A 24 5.401 -2.354 -10.847 1.00 0.42 H new ATOM 0 HB3 HIS A 24 6.617 -3.517 -11.337 1.00 0.42 H new ATOM 0 HD2 HIS A 24 2.739 -3.207 -11.122 1.00 0.49 H new ATOM 0 HE1 HIS A 24 3.626 -6.985 -12.824 1.00 0.54 H new ATOM 0 HE2 HIS A 24 1.762 -5.265 -12.278 1.00 0.52 H new ATOM 342 N PHE A 25 8.371 -4.109 -9.048 1.00 0.54 N ATOM 343 CA PHE A 25 9.745 -3.799 -8.691 1.00 0.59 C ATOM 344 C PHE A 25 10.728 -4.642 -9.508 1.00 0.78 C ATOM 345 O PHE A 25 10.748 -5.866 -9.391 1.00 1.07 O ATOM 346 CB PHE A 25 9.911 -4.139 -7.209 1.00 0.68 C ATOM 347 CG PHE A 25 8.854 -3.502 -6.304 1.00 0.86 C ATOM 348 CD1 PHE A 25 7.679 -4.149 -6.073 1.00 2.32 C ATOM 349 CD2 PHE A 25 9.089 -2.292 -5.730 1.00 1.58 C ATOM 350 CE1 PHE A 25 6.698 -3.559 -5.232 1.00 2.83 C ATOM 351 CE2 PHE A 25 8.108 -1.702 -4.890 1.00 1.66 C ATOM 352 CZ PHE A 25 6.934 -2.348 -4.659 1.00 1.89 C ATOM 0 H PHE A 25 8.232 -5.040 -9.441 1.00 0.54 H new ATOM 0 HA PHE A 25 9.953 -2.748 -8.893 1.00 0.59 H new ATOM 0 HB2 PHE A 25 9.874 -5.222 -7.088 1.00 0.68 H new ATOM 0 HB3 PHE A 25 10.899 -3.816 -6.881 1.00 0.68 H new ATOM 0 HD1 PHE A 25 7.493 -5.110 -6.529 1.00 2.32 H new ATOM 0 HD2 PHE A 25 10.022 -1.780 -5.913 1.00 1.58 H new ATOM 0 HE1 PHE A 25 5.765 -4.072 -5.048 1.00 2.83 H new ATOM 0 HE2 PHE A 25 8.294 -0.741 -4.435 1.00 1.66 H new ATOM 0 HZ PHE A 25 6.188 -1.899 -4.020 1.00 1.89 H new ATOM 362 N SER A 26 11.519 -3.953 -10.317 1.00 0.80 N ATOM 363 CA SER A 26 12.501 -4.622 -11.153 1.00 1.02 C ATOM 364 C SER A 26 13.649 -5.150 -10.290 1.00 1.16 C ATOM 365 O SER A 26 14.537 -5.840 -10.787 1.00 1.37 O ATOM 366 CB SER A 26 13.038 -3.680 -12.233 1.00 1.22 C ATOM 367 OG SER A 26 12.164 -3.600 -13.354 1.00 1.55 O ATOM 0 H SER A 26 11.500 -2.938 -10.411 1.00 0.80 H new ATOM 0 HA SER A 26 12.013 -5.460 -11.650 1.00 1.02 H new ATOM 0 HB2 SER A 26 13.177 -2.685 -11.810 1.00 1.22 H new ATOM 0 HB3 SER A 26 14.018 -4.026 -12.561 1.00 1.22 H new ATOM 0 HG SER A 26 12.541 -2.988 -14.020 1.00 1.55 H new ATOM 373 N GLU A 27 13.592 -4.806 -9.012 1.00 1.16 N ATOM 374 CA GLU A 27 14.616 -5.237 -8.076 1.00 1.46 C ATOM 375 C GLU A 27 14.129 -5.057 -6.637 1.00 1.58 C ATOM 376 O GLU A 27 14.676 -4.247 -5.889 1.00 2.22 O ATOM 377 CB GLU A 27 15.927 -4.483 -8.310 1.00 1.63 C ATOM 378 CG GLU A 27 17.091 -5.172 -7.597 1.00 2.87 C ATOM 379 CD GLU A 27 17.674 -6.295 -8.458 1.00 3.99 C ATOM 380 OE1 GLU A 27 16.933 -7.273 -8.692 1.00 5.11 O ATOM 381 OE2 GLU A 27 18.848 -6.149 -8.862 1.00 4.60 O ATOM 0 H GLU A 27 12.853 -4.234 -8.603 1.00 1.16 H new ATOM 0 HA GLU A 27 14.811 -6.296 -8.244 1.00 1.46 H new ATOM 0 HB2 GLU A 27 16.133 -4.427 -9.379 1.00 1.63 H new ATOM 0 HB3 GLU A 27 15.831 -3.459 -7.950 1.00 1.63 H new ATOM 0 HG2 GLU A 27 17.868 -4.441 -7.371 1.00 2.87 H new ATOM 0 HG3 GLU A 27 16.750 -5.579 -6.645 1.00 2.87 H new ATOM 388 N ASN A 28 13.107 -5.825 -6.291 1.00 1.89 N ATOM 389 CA ASN A 28 12.540 -5.760 -4.954 1.00 2.47 C ATOM 390 C ASN A 28 13.281 -6.740 -4.042 1.00 1.93 C ATOM 391 O ASN A 28 13.955 -6.328 -3.100 1.00 2.51 O ATOM 392 CB ASN A 28 11.061 -6.148 -4.964 1.00 3.68 C ATOM 393 CG ASN A 28 10.640 -6.741 -3.618 1.00 3.96 C ATOM 394 OD1 ASN A 28 10.224 -8.002 -3.688 1.00 4.73 O flip ATOM 395 ND2 ASN A 28 10.692 -6.096 -2.583 1.00 3.51 N flip ATOM 0 H ASN A 28 12.656 -6.496 -6.913 1.00 1.89 H new ATOM 0 HA ASN A 28 12.641 -4.736 -4.594 1.00 2.47 H new ATOM 0 HB2 ASN A 28 10.453 -5.271 -5.185 1.00 3.68 H new ATOM 0 HB3 ASN A 28 10.877 -6.872 -5.758 1.00 3.68 H new ATOM 0 HD21 ASN A 28 11.022 -5.131 -2.600 1.00 3.51 H new ATOM 0 HD22 ASN A 28 10.406 -6.522 -1.702 1.00 3.51 H new ATOM 402 N LEU A 29 13.129 -8.019 -4.356 1.00 1.61 N ATOM 403 CA LEU A 29 13.776 -9.061 -3.576 1.00 2.48 C ATOM 404 C LEU A 29 13.704 -8.700 -2.091 1.00 2.24 C ATOM 405 O LEU A 29 14.649 -8.139 -1.539 1.00 3.21 O ATOM 406 CB LEU A 29 15.199 -9.305 -4.083 1.00 3.99 C ATOM 407 CG LEU A 29 16.136 -10.038 -3.121 1.00 5.45 C ATOM 408 CD1 LEU A 29 16.224 -11.525 -3.469 1.00 6.20 C ATOM 409 CD2 LEU A 29 17.514 -9.375 -3.086 1.00 6.37 C ATOM 0 H LEU A 29 12.568 -8.357 -5.138 1.00 1.61 H new ATOM 0 HA LEU A 29 13.253 -10.009 -3.699 1.00 2.48 H new ATOM 0 HB2 LEU A 29 15.141 -9.877 -5.009 1.00 3.99 H new ATOM 0 HB3 LEU A 29 15.645 -8.342 -4.331 1.00 3.99 H new ATOM 0 HG LEU A 29 15.719 -9.966 -2.116 1.00 5.45 H new ATOM 0 HD11 LEU A 29 16.896 -12.023 -2.770 1.00 6.20 H new ATOM 0 HD12 LEU A 29 15.233 -11.974 -3.401 1.00 6.20 H new ATOM 0 HD13 LEU A 29 16.606 -11.639 -4.484 1.00 6.20 H new ATOM 0 HD21 LEU A 29 18.160 -9.916 -2.395 1.00 6.37 H new ATOM 0 HD22 LEU A 29 17.953 -9.395 -4.084 1.00 6.37 H new ATOM 0 HD23 LEU A 29 17.412 -8.342 -2.755 1.00 6.37 H new ATOM 421 N VAL A 30 12.575 -9.036 -1.486 1.00 1.87 N ATOM 422 CA VAL A 30 12.367 -8.754 -0.076 1.00 2.23 C ATOM 423 C VAL A 30 13.466 -9.435 0.742 1.00 2.07 C ATOM 424 O VAL A 30 14.575 -8.914 0.856 1.00 3.01 O ATOM 425 CB VAL A 30 10.959 -9.181 0.342 1.00 3.57 C ATOM 426 CG1 VAL A 30 10.784 -9.083 1.859 1.00 3.81 C ATOM 427 CG2 VAL A 30 9.897 -8.355 -0.388 1.00 5.26 C ATOM 0 H VAL A 30 11.793 -9.502 -1.947 1.00 1.87 H new ATOM 0 HA VAL A 30 12.436 -7.683 0.114 1.00 2.23 H new ATOM 0 HB VAL A 30 10.826 -10.225 0.057 1.00 3.57 H new ATOM 0 HG11 VAL A 30 9.774 -9.392 2.130 1.00 3.81 H new ATOM 0 HG12 VAL A 30 11.507 -9.733 2.351 1.00 3.81 H new ATOM 0 HG13 VAL A 30 10.946 -8.053 2.178 1.00 3.81 H new ATOM 0 HG21 VAL A 30 8.905 -8.678 -0.073 1.00 5.26 H new ATOM 0 HG22 VAL A 30 10.028 -7.300 -0.148 1.00 5.26 H new ATOM 0 HG23 VAL A 30 10.001 -8.498 -1.464 1.00 5.26 H new ATOM 437 N THR A 31 13.121 -10.591 1.291 1.00 2.10 N ATOM 438 CA THR A 31 14.063 -11.349 2.095 1.00 3.21 C ATOM 439 C THR A 31 14.882 -10.411 2.985 1.00 3.21 C ATOM 440 O THR A 31 16.066 -10.646 3.218 1.00 4.35 O ATOM 441 CB THR A 31 14.922 -12.191 1.149 1.00 4.20 C ATOM 442 OG1 THR A 31 15.723 -12.985 2.020 1.00 5.74 O ATOM 443 CG2 THR A 31 15.938 -11.349 0.374 1.00 4.69 C ATOM 0 H THR A 31 12.201 -11.021 1.194 1.00 2.10 H new ATOM 0 HA THR A 31 13.546 -12.024 2.777 1.00 3.21 H new ATOM 0 HB THR A 31 14.276 -12.719 0.447 1.00 4.20 H new ATOM 0 HG1 THR A 31 16.091 -12.420 2.732 1.00 5.74 H new ATOM 0 HG21 THR A 31 16.521 -11.995 -0.282 1.00 4.69 H new ATOM 0 HG22 THR A 31 15.413 -10.604 -0.224 1.00 4.69 H new ATOM 0 HG23 THR A 31 16.605 -10.847 1.075 1.00 4.69 H new ATOM 451 N GLN A 32 14.216 -9.367 3.457 1.00 2.31 N ATOM 452 CA GLN A 32 14.866 -8.391 4.316 1.00 2.48 C ATOM 453 C GLN A 32 13.874 -7.844 5.344 1.00 2.10 C ATOM 454 O GLN A 32 13.831 -8.311 6.481 1.00 2.68 O ATOM 455 CB GLN A 32 15.484 -7.260 3.492 1.00 2.76 C ATOM 456 CG GLN A 32 17.004 -7.226 3.658 1.00 3.77 C ATOM 457 CD GLN A 32 17.644 -8.499 3.101 1.00 4.34 C ATOM 458 OE1 GLN A 32 18.023 -9.403 3.828 1.00 4.76 O ATOM 459 NE2 GLN A 32 17.745 -8.519 1.775 1.00 5.14 N ATOM 0 H GLN A 32 13.233 -9.176 3.261 1.00 2.31 H new ATOM 0 HA GLN A 32 15.675 -8.889 4.851 1.00 2.48 H new ATOM 0 HB2 GLN A 32 15.233 -7.393 2.440 1.00 2.76 H new ATOM 0 HB3 GLN A 32 15.060 -6.305 3.803 1.00 2.76 H new ATOM 0 HG2 GLN A 32 17.410 -6.355 3.144 1.00 3.77 H new ATOM 0 HG3 GLN A 32 17.256 -7.119 4.713 1.00 3.77 H new ATOM 0 HE21 GLN A 32 17.408 -7.728 1.226 1.00 5.14 H new ATOM 0 HE22 GLN A 32 18.160 -9.325 1.307 1.00 5.14 H new ATOM 468 N PHE A 33 13.100 -6.861 4.906 1.00 1.70 N ATOM 469 CA PHE A 33 12.111 -6.245 5.774 1.00 1.62 C ATOM 470 C PHE A 33 11.109 -5.419 4.963 1.00 1.24 C ATOM 471 O PHE A 33 10.563 -4.436 5.461 1.00 1.48 O ATOM 472 CB PHE A 33 12.867 -5.316 6.726 1.00 2.26 C ATOM 473 CG PHE A 33 13.517 -6.034 7.909 1.00 2.72 C ATOM 474 CD1 PHE A 33 12.743 -6.674 8.826 1.00 3.55 C ATOM 475 CD2 PHE A 33 14.871 -6.033 8.045 1.00 3.17 C ATOM 476 CE1 PHE A 33 13.346 -7.340 9.925 1.00 3.98 C ATOM 477 CE2 PHE A 33 15.475 -6.699 9.144 1.00 3.57 C ATOM 478 CZ PHE A 33 14.700 -7.339 10.060 1.00 3.63 C ATOM 0 H PHE A 33 13.138 -6.476 3.962 1.00 1.70 H new ATOM 0 HA PHE A 33 11.557 -7.015 6.312 1.00 1.62 H new ATOM 0 HB2 PHE A 33 13.639 -4.788 6.166 1.00 2.26 H new ATOM 0 HB3 PHE A 33 12.177 -4.562 7.106 1.00 2.26 H new ATOM 0 HD1 PHE A 33 11.668 -6.676 8.718 1.00 3.55 H new ATOM 0 HD2 PHE A 33 15.486 -5.526 7.317 1.00 3.17 H new ATOM 0 HE1 PHE A 33 12.731 -7.847 10.653 1.00 3.98 H new ATOM 0 HE2 PHE A 33 16.550 -6.697 9.252 1.00 3.57 H new ATOM 0 HZ PHE A 33 15.159 -7.847 10.895 1.00 3.63 H new ATOM 488 N SER A 34 10.898 -5.850 3.728 1.00 0.98 N ATOM 489 CA SER A 34 9.972 -5.163 2.844 1.00 0.78 C ATOM 490 C SER A 34 8.545 -5.651 3.101 1.00 0.73 C ATOM 491 O SER A 34 8.337 -6.803 3.477 1.00 0.96 O ATOM 492 CB SER A 34 10.350 -5.377 1.377 1.00 0.89 C ATOM 493 OG SER A 34 9.204 -5.408 0.530 1.00 1.28 O ATOM 0 H SER A 34 11.352 -6.666 3.319 1.00 0.98 H new ATOM 0 HA SER A 34 10.027 -4.095 3.053 1.00 0.78 H new ATOM 0 HB2 SER A 34 11.018 -4.578 1.054 1.00 0.89 H new ATOM 0 HB3 SER A 34 10.900 -6.313 1.277 1.00 0.89 H new ATOM 0 HG SER A 34 8.765 -4.532 0.541 1.00 1.28 H new ATOM 499 N GLY A 35 7.598 -4.749 2.887 1.00 0.63 N ATOM 500 CA GLY A 35 6.196 -5.072 3.091 1.00 0.73 C ATOM 501 C GLY A 35 5.326 -3.816 3.012 1.00 0.67 C ATOM 502 O GLY A 35 5.843 -2.701 2.960 1.00 0.88 O ATOM 0 H GLY A 35 7.774 -3.794 2.574 1.00 0.63 H new ATOM 0 HA2 GLY A 35 5.872 -5.791 2.339 1.00 0.73 H new ATOM 0 HA3 GLY A 35 6.067 -5.548 4.063 1.00 0.73 H new ATOM 506 N ALA A 36 4.020 -4.038 3.007 1.00 0.69 N ATOM 507 CA ALA A 36 3.074 -2.938 2.936 1.00 0.66 C ATOM 508 C ALA A 36 1.998 -3.126 4.008 1.00 0.70 C ATOM 509 O ALA A 36 1.860 -4.213 4.569 1.00 0.80 O ATOM 510 CB ALA A 36 2.485 -2.861 1.526 1.00 0.73 C ATOM 0 H ALA A 36 3.595 -4.964 3.051 1.00 0.69 H new ATOM 0 HA ALA A 36 3.573 -1.989 3.133 1.00 0.66 H new ATOM 0 HB1 ALA A 36 1.775 -2.036 1.473 1.00 0.73 H new ATOM 0 HB2 ALA A 36 3.286 -2.698 0.805 1.00 0.73 H new ATOM 0 HB3 ALA A 36 1.973 -3.795 1.294 1.00 0.73 H new ATOM 516 N LYS A 37 1.265 -2.053 4.260 1.00 0.67 N ATOM 517 CA LYS A 37 0.206 -2.086 5.254 1.00 0.75 C ATOM 518 C LYS A 37 -0.824 -1.002 4.932 1.00 0.73 C ATOM 519 O LYS A 37 -0.469 0.159 4.738 1.00 0.70 O ATOM 520 CB LYS A 37 0.791 -1.979 6.664 1.00 0.81 C ATOM 521 CG LYS A 37 0.869 -3.353 7.331 1.00 0.94 C ATOM 522 CD LYS A 37 0.486 -3.266 8.810 1.00 1.32 C ATOM 523 CE LYS A 37 -0.767 -4.094 9.100 1.00 2.61 C ATOM 524 NZ LYS A 37 -0.609 -4.847 10.365 1.00 3.08 N ATOM 0 H LYS A 37 1.383 -1.154 3.793 1.00 0.67 H new ATOM 0 HA LYS A 37 -0.316 -3.042 5.222 1.00 0.75 H new ATOM 0 HB2 LYS A 37 1.786 -1.537 6.616 1.00 0.81 H new ATOM 0 HB3 LYS A 37 0.175 -1.312 7.267 1.00 0.81 H new ATOM 0 HG2 LYS A 37 0.203 -4.048 6.819 1.00 0.94 H new ATOM 0 HG3 LYS A 37 1.879 -3.751 7.236 1.00 0.94 H new ATOM 0 HD2 LYS A 37 1.312 -3.622 9.425 1.00 1.32 H new ATOM 0 HD3 LYS A 37 0.310 -2.226 9.084 1.00 1.32 H new ATOM 0 HE2 LYS A 37 -1.636 -3.439 9.166 1.00 2.61 H new ATOM 0 HE3 LYS A 37 -0.951 -4.786 8.278 1.00 2.61 H new ATOM 0 HZ1 LYS A 37 -1.468 -5.404 10.547 1.00 3.08 H new ATOM 0 HZ2 LYS A 37 0.208 -5.486 10.289 1.00 3.08 H new ATOM 0 HZ3 LYS A 37 -0.456 -4.181 11.149 1.00 3.08 H new ATOM 538 N LEU A 38 -2.081 -1.420 4.886 1.00 0.76 N ATOM 539 CA LEU A 38 -3.166 -0.499 4.590 1.00 0.75 C ATOM 540 C LEU A 38 -3.749 0.032 5.900 1.00 0.78 C ATOM 541 O LEU A 38 -4.204 -0.743 6.741 1.00 0.88 O ATOM 542 CB LEU A 38 -4.201 -1.165 3.682 1.00 0.78 C ATOM 543 CG LEU A 38 -5.572 -0.488 3.618 1.00 0.84 C ATOM 544 CD1 LEU A 38 -5.541 0.729 2.693 1.00 1.23 C ATOM 545 CD2 LEU A 38 -6.658 -1.487 3.214 1.00 1.34 C ATOM 0 H LEU A 38 -2.372 -2.384 5.049 1.00 0.76 H new ATOM 0 HA LEU A 38 -2.794 0.362 4.034 1.00 0.75 H new ATOM 0 HB2 LEU A 38 -3.793 -1.211 2.672 1.00 0.78 H new ATOM 0 HB3 LEU A 38 -4.341 -2.193 4.017 1.00 0.78 H new ATOM 0 HG LEU A 38 -5.821 -0.127 4.616 1.00 0.84 H new ATOM 0 HD11 LEU A 38 -6.528 1.191 2.666 1.00 1.23 H new ATOM 0 HD12 LEU A 38 -4.813 1.450 3.065 1.00 1.23 H new ATOM 0 HD13 LEU A 38 -5.260 0.415 1.688 1.00 1.23 H new ATOM 0 HD21 LEU A 38 -7.622 -0.980 3.176 1.00 1.34 H new ATOM 0 HD22 LEU A 38 -6.426 -1.900 2.232 1.00 1.34 H new ATOM 0 HD23 LEU A 38 -6.701 -2.294 3.946 1.00 1.34 H new ATOM 557 N VAL A 39 -3.716 1.350 6.034 1.00 0.80 N ATOM 558 CA VAL A 39 -4.236 1.994 7.229 1.00 0.85 C ATOM 559 C VAL A 39 -5.309 3.009 6.829 1.00 0.80 C ATOM 560 O VAL A 39 -5.115 3.788 5.897 1.00 0.80 O ATOM 561 CB VAL A 39 -3.090 2.617 8.028 1.00 0.98 C ATOM 562 CG1 VAL A 39 -1.927 1.635 8.176 1.00 1.04 C ATOM 563 CG2 VAL A 39 -2.624 3.927 7.388 1.00 0.94 C ATOM 0 H VAL A 39 -3.337 1.989 5.335 1.00 0.80 H new ATOM 0 HA VAL A 39 -4.709 1.262 7.883 1.00 0.85 H new ATOM 0 HB VAL A 39 -3.464 2.846 9.026 1.00 0.98 H new ATOM 0 HG11 VAL A 39 -1.126 2.103 8.748 1.00 1.04 H new ATOM 0 HG12 VAL A 39 -2.270 0.741 8.697 1.00 1.04 H new ATOM 0 HG13 VAL A 39 -1.555 1.360 7.189 1.00 1.04 H new ATOM 0 HG21 VAL A 39 -1.809 4.349 7.976 1.00 0.94 H new ATOM 0 HG22 VAL A 39 -2.277 3.733 6.373 1.00 0.94 H new ATOM 0 HG23 VAL A 39 -3.454 4.633 7.359 1.00 0.94 H new ATOM 573 N MET A 40 -6.416 2.969 7.556 1.00 0.81 N ATOM 574 CA MET A 40 -7.520 3.875 7.289 1.00 0.78 C ATOM 575 C MET A 40 -7.379 5.164 8.101 1.00 0.89 C ATOM 576 O MET A 40 -7.768 5.214 9.267 1.00 0.95 O ATOM 577 CB MET A 40 -8.842 3.191 7.644 1.00 0.75 C ATOM 578 CG MET A 40 -10.010 4.175 7.558 1.00 0.76 C ATOM 579 SD MET A 40 -11.523 3.371 8.054 1.00 1.65 S ATOM 580 CE MET A 40 -12.568 4.798 8.296 1.00 1.63 C ATOM 0 H MET A 40 -6.572 2.323 8.330 1.00 0.81 H new ATOM 0 HA MET A 40 -7.507 4.130 6.229 1.00 0.78 H new ATOM 0 HB2 MET A 40 -9.016 2.355 6.967 1.00 0.75 H new ATOM 0 HB3 MET A 40 -8.783 2.779 8.651 1.00 0.75 H new ATOM 0 HG2 MET A 40 -9.819 5.036 8.199 1.00 0.76 H new ATOM 0 HG3 MET A 40 -10.105 4.551 6.539 1.00 0.76 H new ATOM 0 HE1 MET A 40 -13.560 4.473 8.611 1.00 1.63 H new ATOM 0 HE2 MET A 40 -12.135 5.440 9.064 1.00 1.63 H new ATOM 0 HE3 MET A 40 -12.648 5.353 7.361 1.00 1.63 H new ATOM 590 N THR A 41 -6.821 6.177 7.453 1.00 0.92 N ATOM 591 CA THR A 41 -6.624 7.462 8.100 1.00 1.03 C ATOM 592 C THR A 41 -7.511 8.527 7.452 1.00 1.06 C ATOM 593 O THR A 41 -7.012 9.523 6.930 1.00 1.20 O ATOM 594 CB THR A 41 -5.132 7.797 8.041 1.00 1.18 C ATOM 595 OG1 THR A 41 -5.039 9.080 8.654 1.00 1.29 O ATOM 596 CG2 THR A 41 -4.639 8.029 6.612 1.00 1.27 C ATOM 0 H THR A 41 -6.499 6.133 6.486 1.00 0.92 H new ATOM 0 HA THR A 41 -6.924 7.427 9.147 1.00 1.03 H new ATOM 0 HB THR A 41 -4.561 6.987 8.494 1.00 1.18 H new ATOM 0 HG1 THR A 41 -5.479 9.747 8.086 1.00 1.29 H new ATOM 0 HG21 THR A 41 -3.575 8.263 6.628 1.00 1.27 H new ATOM 0 HG22 THR A 41 -4.804 7.129 6.020 1.00 1.27 H new ATOM 0 HG23 THR A 41 -5.187 8.861 6.169 1.00 1.27 H new ATOM 604 N ALA A 42 -8.812 8.281 7.506 1.00 0.98 N ATOM 605 CA ALA A 42 -9.773 9.207 6.931 1.00 1.05 C ATOM 606 C ALA A 42 -9.338 10.642 7.237 1.00 1.36 C ATOM 607 O ALA A 42 -8.555 10.875 8.155 1.00 2.51 O ATOM 608 CB ALA A 42 -11.170 8.893 7.472 1.00 1.12 C ATOM 0 H ALA A 42 -9.223 7.454 7.939 1.00 0.98 H new ATOM 0 HA ALA A 42 -9.811 9.098 5.847 1.00 1.05 H new ATOM 0 HB1 ALA A 42 -11.892 9.587 7.041 1.00 1.12 H new ATOM 0 HB2 ALA A 42 -11.443 7.873 7.203 1.00 1.12 H new ATOM 0 HB3 ALA A 42 -11.171 8.995 8.557 1.00 1.12 H new ATOM 614 N MET A 43 -9.866 11.566 6.448 1.00 1.87 N ATOM 615 CA MET A 43 -9.544 12.972 6.622 1.00 2.39 C ATOM 616 C MET A 43 -9.375 13.317 8.103 1.00 2.04 C ATOM 617 O MET A 43 -10.122 12.825 8.948 1.00 2.10 O ATOM 618 CB MET A 43 -10.658 13.831 6.021 1.00 3.38 C ATOM 619 CG MET A 43 -10.285 14.311 4.617 1.00 4.50 C ATOM 620 SD MET A 43 -11.393 15.611 4.101 1.00 5.29 S ATOM 621 CE MET A 43 -12.561 14.660 3.142 1.00 5.80 C ATOM 0 H MET A 43 -10.515 11.368 5.686 1.00 1.87 H new ATOM 0 HA MET A 43 -8.603 13.175 6.111 1.00 2.39 H new ATOM 0 HB2 MET A 43 -11.583 13.256 5.978 1.00 3.38 H new ATOM 0 HB3 MET A 43 -10.847 14.690 6.665 1.00 3.38 H new ATOM 0 HG2 MET A 43 -9.257 14.674 4.609 1.00 4.50 H new ATOM 0 HG3 MET A 43 -10.335 13.479 3.914 1.00 4.50 H new ATOM 0 HE1 MET A 43 -13.328 15.323 2.742 1.00 5.80 H new ATOM 0 HE2 MET A 43 -12.042 14.168 2.319 1.00 5.80 H new ATOM 0 HE3 MET A 43 -13.027 13.908 3.778 1.00 5.80 H new ATOM 631 N PRO A 44 -8.363 14.181 8.381 1.00 2.17 N ATOM 632 CA PRO A 44 -8.086 14.597 9.745 1.00 2.18 C ATOM 633 C PRO A 44 -9.128 15.606 10.232 1.00 2.92 C ATOM 634 O PRO A 44 -10.077 15.919 9.515 1.00 3.69 O ATOM 635 CB PRO A 44 -6.679 15.169 9.705 1.00 2.45 C ATOM 636 CG PRO A 44 -6.397 15.479 8.244 1.00 2.95 C ATOM 637 CD PRO A 44 -7.457 14.783 7.407 1.00 2.76 C ATOM 0 HA PRO A 44 -8.146 13.773 10.456 1.00 2.18 H new ATOM 0 HB2 PRO A 44 -6.605 16.068 10.316 1.00 2.45 H new ATOM 0 HB3 PRO A 44 -5.956 14.455 10.100 1.00 2.45 H new ATOM 0 HG2 PRO A 44 -6.420 16.555 8.071 1.00 2.95 H new ATOM 0 HG3 PRO A 44 -5.402 15.132 7.965 1.00 2.95 H new ATOM 0 HD2 PRO A 44 -7.981 15.490 6.764 1.00 2.76 H new ATOM 0 HD3 PRO A 44 -7.015 14.027 6.757 1.00 2.76 H new ATOM 645 N GLY A 45 -8.917 16.086 11.448 1.00 3.36 N ATOM 646 CA GLY A 45 -9.825 17.054 12.040 1.00 4.22 C ATOM 647 C GLY A 45 -10.026 16.777 13.531 1.00 3.69 C ATOM 648 O GLY A 45 -9.791 17.649 14.366 1.00 3.63 O ATOM 0 H GLY A 45 -8.130 15.823 12.041 1.00 3.36 H new ATOM 0 HA2 GLY A 45 -9.429 18.060 11.904 1.00 4.22 H new ATOM 0 HA3 GLY A 45 -10.786 17.018 11.527 1.00 4.22 H new ATOM 652 N MET A 46 -10.462 15.560 13.820 1.00 3.79 N ATOM 653 CA MET A 46 -10.698 15.157 15.196 1.00 3.96 C ATOM 654 C MET A 46 -9.923 13.881 15.535 1.00 3.86 C ATOM 655 O MET A 46 -10.330 12.784 15.157 1.00 4.86 O ATOM 656 CB MET A 46 -12.194 14.916 15.408 1.00 5.51 C ATOM 657 CG MET A 46 -12.972 16.233 15.366 1.00 6.22 C ATOM 658 SD MET A 46 -12.490 17.271 16.735 1.00 6.69 S ATOM 659 CE MET A 46 -13.947 17.134 17.757 1.00 6.41 C ATOM 0 H MET A 46 -10.658 14.840 13.125 1.00 3.79 H new ATOM 0 HA MET A 46 -10.352 15.955 15.853 1.00 3.96 H new ATOM 0 HB2 MET A 46 -12.570 14.242 14.638 1.00 5.51 H new ATOM 0 HB3 MET A 46 -12.355 14.425 16.368 1.00 5.51 H new ATOM 0 HG2 MET A 46 -12.781 16.748 14.424 1.00 6.22 H new ATOM 0 HG3 MET A 46 -14.043 16.034 15.409 1.00 6.22 H new ATOM 0 HE1 MET A 46 -13.814 17.727 18.662 1.00 6.41 H new ATOM 0 HE2 MET A 46 -14.813 17.501 17.207 1.00 6.41 H new ATOM 0 HE3 MET A 46 -14.105 16.090 18.027 1.00 6.41 H new ATOM 669 N GLU A 47 -8.819 14.070 16.243 1.00 3.25 N ATOM 670 CA GLU A 47 -7.983 12.948 16.638 1.00 4.10 C ATOM 671 C GLU A 47 -7.348 12.301 15.405 1.00 3.86 C ATOM 672 O GLU A 47 -7.893 11.347 14.850 1.00 5.10 O ATOM 673 CB GLU A 47 -8.784 11.924 17.444 1.00 5.76 C ATOM 674 CG GLU A 47 -7.900 11.233 18.485 1.00 6.99 C ATOM 675 CD GLU A 47 -8.303 9.768 18.660 1.00 8.73 C ATOM 676 OE1 GLU A 47 -8.480 9.050 17.665 1.00 9.29 O ATOM 677 OE2 GLU A 47 -8.430 9.380 19.884 1.00 9.84 O ATOM 0 H GLU A 47 -8.484 14.982 16.553 1.00 3.25 H new ATOM 0 HA GLU A 47 -7.185 13.322 17.280 1.00 4.10 H new ATOM 0 HB2 GLU A 47 -9.618 12.419 17.941 1.00 5.76 H new ATOM 0 HB3 GLU A 47 -9.210 11.179 16.772 1.00 5.76 H new ATOM 0 HG2 GLU A 47 -6.856 11.293 18.178 1.00 6.99 H new ATOM 0 HG3 GLU A 47 -7.982 11.753 19.440 1.00 6.99 H new ATOM 684 N HIS A 48 -6.206 12.845 15.013 1.00 2.78 N ATOM 685 CA HIS A 48 -5.491 12.331 13.857 1.00 2.58 C ATOM 686 C HIS A 48 -4.714 11.073 14.250 1.00 1.98 C ATOM 687 O HIS A 48 -3.546 11.151 14.623 1.00 2.22 O ATOM 688 CB HIS A 48 -4.598 13.413 13.247 1.00 3.28 C ATOM 689 CG HIS A 48 -3.965 13.019 11.934 1.00 3.67 C ATOM 690 ND1 HIS A 48 -3.707 13.928 10.922 1.00 4.37 N ATOM 691 CD2 HIS A 48 -3.541 11.806 11.477 1.00 4.46 C ATOM 692 CE1 HIS A 48 -3.153 13.280 9.908 1.00 5.21 C ATOM 693 NE2 HIS A 48 -3.052 11.964 10.254 1.00 5.28 N ATOM 0 H HIS A 48 -5.758 13.636 15.475 1.00 2.78 H new ATOM 0 HA HIS A 48 -6.203 12.048 13.081 1.00 2.58 H new ATOM 0 HB2 HIS A 48 -5.190 14.316 13.097 1.00 3.28 H new ATOM 0 HB3 HIS A 48 -3.810 13.663 13.958 1.00 3.28 H new ATOM 0 HD2 HIS A 48 -3.594 10.874 12.019 1.00 4.46 H new ATOM 0 HE1 HIS A 48 -2.837 13.717 8.972 1.00 5.21 H new ATOM 0 HE2 HIS A 48 -2.664 11.224 9.669 1.00 5.28 H new ATOM 701 N SER A 49 -5.396 9.941 14.151 1.00 1.64 N ATOM 702 CA SER A 49 -4.785 8.667 14.492 1.00 1.60 C ATOM 703 C SER A 49 -5.144 7.617 13.440 1.00 1.41 C ATOM 704 O SER A 49 -6.315 7.279 13.268 1.00 1.41 O ATOM 705 CB SER A 49 -5.225 8.200 15.881 1.00 2.18 C ATOM 706 OG SER A 49 -4.121 8.054 16.770 1.00 2.94 O ATOM 0 H SER A 49 -6.365 9.879 13.840 1.00 1.64 H new ATOM 0 HA SER A 49 -3.703 8.799 14.509 1.00 1.60 H new ATOM 0 HB2 SER A 49 -5.933 8.917 16.297 1.00 2.18 H new ATOM 0 HB3 SER A 49 -5.749 7.248 15.794 1.00 2.18 H new ATOM 0 HG SER A 49 -4.444 7.756 17.646 1.00 2.94 H new ATOM 712 N PRO A 50 -4.089 7.116 12.744 1.00 1.41 N ATOM 713 CA PRO A 50 -4.281 6.111 11.713 1.00 1.40 C ATOM 714 C PRO A 50 -4.569 4.740 12.329 1.00 1.36 C ATOM 715 O PRO A 50 -4.035 4.407 13.387 1.00 1.51 O ATOM 716 CB PRO A 50 -3.000 6.136 10.895 1.00 1.59 C ATOM 717 CG PRO A 50 -1.961 6.818 11.770 1.00 1.70 C ATOM 718 CD PRO A 50 -2.689 7.492 12.921 1.00 1.59 C ATOM 0 HA PRO A 50 -5.146 6.317 11.082 1.00 1.40 H new ATOM 0 HB2 PRO A 50 -2.686 5.126 10.630 1.00 1.59 H new ATOM 0 HB3 PRO A 50 -3.143 6.681 9.962 1.00 1.59 H new ATOM 0 HG2 PRO A 50 -1.243 6.090 12.147 1.00 1.70 H new ATOM 0 HG3 PRO A 50 -1.398 7.552 11.193 1.00 1.70 H new ATOM 0 HD2 PRO A 50 -2.307 7.154 13.884 1.00 1.59 H new ATOM 0 HD3 PRO A 50 -2.563 8.574 12.890 1.00 1.59 H new ATOM 726 N MET A 51 -5.412 3.983 11.643 1.00 1.22 N ATOM 727 CA MET A 51 -5.777 2.657 12.111 1.00 1.22 C ATOM 728 C MET A 51 -5.432 1.593 11.066 1.00 1.14 C ATOM 729 O MET A 51 -5.805 1.720 9.900 1.00 1.16 O ATOM 730 CB MET A 51 -7.278 2.615 12.407 1.00 1.23 C ATOM 731 CG MET A 51 -7.557 2.952 13.873 1.00 1.63 C ATOM 732 SD MET A 51 -8.067 1.484 14.750 1.00 2.93 S ATOM 733 CE MET A 51 -6.705 1.316 15.893 1.00 4.43 C ATOM 0 H MET A 51 -5.853 4.263 10.767 1.00 1.22 H new ATOM 0 HA MET A 51 -5.213 2.444 13.019 1.00 1.22 H new ATOM 0 HB2 MET A 51 -7.799 3.322 11.762 1.00 1.23 H new ATOM 0 HB3 MET A 51 -7.670 1.624 12.177 1.00 1.23 H new ATOM 0 HG2 MET A 51 -6.663 3.370 14.335 1.00 1.63 H new ATOM 0 HG3 MET A 51 -8.334 3.713 13.938 1.00 1.63 H new ATOM 0 HE1 MET A 51 -6.864 0.440 16.522 1.00 4.43 H new ATOM 0 HE2 MET A 51 -5.775 1.199 15.336 1.00 4.43 H new ATOM 0 HE3 MET A 51 -6.643 2.206 16.519 1.00 4.43 H new ATOM 743 N ALA A 52 -4.725 0.569 11.521 1.00 1.16 N ATOM 744 CA ALA A 52 -4.327 -0.515 10.641 1.00 1.11 C ATOM 745 C ALA A 52 -5.541 -1.398 10.345 1.00 1.07 C ATOM 746 O ALA A 52 -6.350 -1.665 11.232 1.00 1.18 O ATOM 747 CB ALA A 52 -3.179 -1.297 11.282 1.00 1.19 C ATOM 0 H ALA A 52 -4.418 0.468 12.488 1.00 1.16 H new ATOM 0 HA ALA A 52 -3.964 -0.124 9.690 1.00 1.11 H new ATOM 0 HB1 ALA A 52 -2.880 -2.111 10.622 1.00 1.19 H new ATOM 0 HB2 ALA A 52 -2.331 -0.631 11.444 1.00 1.19 H new ATOM 0 HB3 ALA A 52 -3.507 -1.707 12.237 1.00 1.19 H new ATOM 753 N VAL A 53 -5.629 -1.829 9.095 1.00 0.93 N ATOM 754 CA VAL A 53 -6.731 -2.676 8.671 1.00 0.91 C ATOM 755 C VAL A 53 -6.279 -4.139 8.689 1.00 1.00 C ATOM 756 O VAL A 53 -5.110 -4.428 8.938 1.00 1.35 O ATOM 757 CB VAL A 53 -7.240 -2.225 7.301 1.00 1.00 C ATOM 758 CG1 VAL A 53 -6.317 -2.716 6.184 1.00 1.10 C ATOM 759 CG2 VAL A 53 -8.678 -2.695 7.070 1.00 1.06 C ATOM 0 H VAL A 53 -4.955 -1.607 8.362 1.00 0.93 H new ATOM 0 HA VAL A 53 -7.570 -2.586 9.361 1.00 0.91 H new ATOM 0 HB VAL A 53 -7.236 -1.135 7.284 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -6.702 -2.382 5.221 1.00 1.10 H new ATOM 0 HG12 VAL A 53 -5.316 -2.312 6.335 1.00 1.10 H new ATOM 0 HG13 VAL A 53 -6.275 -3.805 6.199 1.00 1.10 H new ATOM 0 HG21 VAL A 53 -9.017 -2.362 6.089 1.00 1.06 H new ATOM 0 HG22 VAL A 53 -8.717 -3.783 7.117 1.00 1.06 H new ATOM 0 HG23 VAL A 53 -9.326 -2.275 7.839 1.00 1.06 H new ATOM 769 N LYS A 54 -7.230 -5.021 8.423 1.00 0.85 N ATOM 770 CA LYS A 54 -6.945 -6.446 8.406 1.00 0.93 C ATOM 771 C LYS A 54 -6.733 -6.902 6.960 1.00 0.98 C ATOM 772 O LYS A 54 -7.444 -7.778 6.471 1.00 1.69 O ATOM 773 CB LYS A 54 -8.041 -7.220 9.140 1.00 0.94 C ATOM 774 CG LYS A 54 -9.362 -7.167 8.368 1.00 2.41 C ATOM 775 CD LYS A 54 -10.548 -7.464 9.288 1.00 2.65 C ATOM 776 CE LYS A 54 -11.408 -6.215 9.494 1.00 4.33 C ATOM 777 NZ LYS A 54 -10.791 -5.320 10.499 1.00 4.75 N ATOM 0 H LYS A 54 -8.199 -4.777 8.217 1.00 0.85 H new ATOM 0 HA LYS A 54 -6.022 -6.657 8.946 1.00 0.93 H new ATOM 0 HB2 LYS A 54 -7.733 -8.258 9.270 1.00 0.94 H new ATOM 0 HB3 LYS A 54 -8.181 -6.802 10.137 1.00 0.94 H new ATOM 0 HG2 LYS A 54 -9.485 -6.182 7.917 1.00 2.41 H new ATOM 0 HG3 LYS A 54 -9.340 -7.890 7.553 1.00 2.41 H new ATOM 0 HD2 LYS A 54 -11.155 -8.261 8.859 1.00 2.65 H new ATOM 0 HD3 LYS A 54 -10.185 -7.823 10.251 1.00 2.65 H new ATOM 0 HE2 LYS A 54 -11.523 -5.685 8.548 1.00 4.33 H new ATOM 0 HE3 LYS A 54 -12.407 -6.504 9.820 1.00 4.33 H new ATOM 0 HZ1 LYS A 54 -11.388 -4.478 10.626 1.00 4.75 H new ATOM 0 HZ2 LYS A 54 -10.704 -5.823 11.405 1.00 4.75 H new ATOM 0 HZ3 LYS A 54 -9.847 -5.030 10.172 1.00 4.75 H new ATOM 791 N ALA A 55 -5.750 -6.288 6.318 1.00 0.61 N ATOM 792 CA ALA A 55 -5.434 -6.619 4.939 1.00 0.56 C ATOM 793 C ALA A 55 -4.255 -7.592 4.911 1.00 0.54 C ATOM 794 O ALA A 55 -3.660 -7.884 5.948 1.00 0.58 O ATOM 795 CB ALA A 55 -5.150 -5.335 4.157 1.00 0.58 C ATOM 0 H ALA A 55 -5.162 -5.563 6.728 1.00 0.61 H new ATOM 0 HA ALA A 55 -6.280 -7.112 4.459 1.00 0.56 H new ATOM 0 HB1 ALA A 55 -4.913 -5.584 3.123 1.00 0.58 H new ATOM 0 HB2 ALA A 55 -6.029 -4.691 4.183 1.00 0.58 H new ATOM 0 HB3 ALA A 55 -4.305 -4.814 4.608 1.00 0.58 H new ATOM 801 N ALA A 56 -3.952 -8.070 3.713 1.00 0.52 N ATOM 802 CA ALA A 56 -2.854 -9.004 3.535 1.00 0.54 C ATOM 803 C ALA A 56 -2.156 -8.720 2.203 1.00 0.50 C ATOM 804 O ALA A 56 -2.814 -8.436 1.203 1.00 0.58 O ATOM 805 CB ALA A 56 -3.384 -10.437 3.620 1.00 0.63 C ATOM 0 H ALA A 56 -4.448 -7.827 2.856 1.00 0.52 H new ATOM 0 HA ALA A 56 -2.115 -8.881 4.327 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.560 -11.138 3.486 1.00 0.63 H new ATOM 0 HB2 ALA A 56 -3.843 -10.598 4.595 1.00 0.63 H new ATOM 0 HB3 ALA A 56 -4.127 -10.597 2.839 1.00 0.63 H new ATOM 811 N VAL A 57 -0.835 -8.804 2.233 1.00 0.51 N ATOM 812 CA VAL A 57 -0.042 -8.558 1.041 1.00 0.51 C ATOM 813 C VAL A 57 0.203 -9.883 0.314 1.00 0.62 C ATOM 814 O VAL A 57 0.614 -10.865 0.930 1.00 0.76 O ATOM 815 CB VAL A 57 1.253 -7.833 1.414 1.00 0.54 C ATOM 816 CG1 VAL A 57 2.162 -8.733 2.255 1.00 2.03 C ATOM 817 CG2 VAL A 57 1.981 -7.333 0.164 1.00 2.11 C ATOM 0 H VAL A 57 -0.293 -9.039 3.065 1.00 0.51 H new ATOM 0 HA VAL A 57 -0.579 -7.904 0.354 1.00 0.51 H new ATOM 0 HB VAL A 57 0.989 -6.965 2.018 1.00 0.54 H new ATOM 0 HG11 VAL A 57 3.075 -8.194 2.507 1.00 2.03 H new ATOM 0 HG12 VAL A 57 1.645 -9.018 3.171 1.00 2.03 H new ATOM 0 HG13 VAL A 57 2.414 -9.628 1.687 1.00 2.03 H new ATOM 0 HG21 VAL A 57 2.898 -6.822 0.457 1.00 2.11 H new ATOM 0 HG22 VAL A 57 2.227 -8.180 -0.477 1.00 2.11 H new ATOM 0 HG23 VAL A 57 1.338 -6.641 -0.380 1.00 2.11 H new ATOM 827 N SER A 58 -0.062 -9.867 -0.984 1.00 0.61 N ATOM 828 CA SER A 58 0.125 -11.053 -1.800 1.00 0.76 C ATOM 829 C SER A 58 0.672 -10.663 -3.174 1.00 0.87 C ATOM 830 O SER A 58 0.204 -9.702 -3.783 1.00 1.27 O ATOM 831 CB SER A 58 -1.186 -11.828 -1.952 1.00 0.88 C ATOM 832 OG SER A 58 -2.025 -11.688 -0.809 1.00 1.12 O ATOM 0 H SER A 58 -0.405 -9.051 -1.490 1.00 0.61 H new ATOM 0 HA SER A 58 0.845 -11.702 -1.301 1.00 0.76 H new ATOM 0 HB2 SER A 58 -1.716 -11.474 -2.836 1.00 0.88 H new ATOM 0 HB3 SER A 58 -0.967 -12.883 -2.113 1.00 0.88 H new ATOM 0 HG SER A 58 -2.852 -12.196 -0.946 1.00 1.12 H new ATOM 838 N GLY A 59 1.657 -11.427 -3.623 1.00 0.75 N ATOM 839 CA GLY A 59 2.274 -11.173 -4.914 1.00 0.82 C ATOM 840 C GLY A 59 1.379 -11.664 -6.054 1.00 1.10 C ATOM 841 O GLY A 59 0.379 -12.340 -5.817 1.00 1.49 O ATOM 0 H GLY A 59 2.043 -12.223 -3.115 1.00 0.75 H new ATOM 0 HA2 GLY A 59 2.462 -10.105 -5.028 1.00 0.82 H new ATOM 0 HA3 GLY A 59 3.241 -11.674 -4.964 1.00 0.82 H new ATOM 845 N GLY A 60 1.773 -11.305 -7.268 1.00 0.97 N ATOM 846 CA GLY A 60 1.019 -11.699 -8.446 1.00 1.26 C ATOM 847 C GLY A 60 1.786 -12.740 -9.264 1.00 1.50 C ATOM 848 O GLY A 60 2.036 -12.540 -10.451 1.00 2.88 O ATOM 0 H GLY A 60 2.604 -10.746 -7.461 1.00 0.97 H new ATOM 0 HA2 GLY A 60 0.054 -12.107 -8.145 1.00 1.26 H new ATOM 0 HA3 GLY A 60 0.817 -10.823 -9.063 1.00 1.26 H new ATOM 852 N GLY A 61 2.139 -13.828 -8.595 1.00 1.62 N ATOM 853 CA GLY A 61 2.872 -14.901 -9.245 1.00 1.74 C ATOM 854 C GLY A 61 4.370 -14.801 -8.945 1.00 1.69 C ATOM 855 O GLY A 61 4.946 -15.702 -8.335 1.00 2.26 O ATOM 0 H GLY A 61 1.931 -13.989 -7.610 1.00 1.62 H new ATOM 0 HA2 GLY A 61 2.493 -15.864 -8.904 1.00 1.74 H new ATOM 0 HA3 GLY A 61 2.709 -14.857 -10.322 1.00 1.74 H new ATOM 859 N ASP A 62 4.957 -13.699 -9.387 1.00 1.27 N ATOM 860 CA ASP A 62 6.376 -13.470 -9.173 1.00 1.19 C ATOM 861 C ASP A 62 6.578 -12.761 -7.833 1.00 1.05 C ATOM 862 O ASP A 62 5.684 -12.063 -7.355 1.00 0.95 O ATOM 863 CB ASP A 62 6.962 -12.582 -10.272 1.00 1.13 C ATOM 864 CG ASP A 62 7.417 -13.324 -11.530 1.00 1.42 C ATOM 865 OD1 ASP A 62 8.575 -13.757 -11.632 1.00 2.41 O ATOM 866 OD2 ASP A 62 6.515 -13.453 -12.443 1.00 2.34 O ATOM 0 H ASP A 62 4.476 -12.955 -9.892 1.00 1.27 H new ATOM 0 HA ASP A 62 6.879 -14.437 -9.184 1.00 1.19 H new ATOM 0 HB2 ASP A 62 6.215 -11.841 -10.556 1.00 1.13 H new ATOM 0 HB3 ASP A 62 7.812 -12.037 -9.863 1.00 1.13 H new ATOM 871 N PRO A 63 7.789 -12.967 -7.250 1.00 1.12 N ATOM 872 CA PRO A 63 8.119 -12.354 -5.973 1.00 1.10 C ATOM 873 C PRO A 63 8.415 -10.863 -6.142 1.00 0.99 C ATOM 874 O PRO A 63 8.524 -10.133 -5.158 1.00 1.06 O ATOM 875 CB PRO A 63 9.311 -13.143 -5.456 1.00 1.30 C ATOM 876 CG PRO A 63 9.894 -13.859 -6.664 1.00 1.38 C ATOM 877 CD PRO A 63 8.872 -13.786 -7.787 1.00 1.28 C ATOM 0 HA PRO A 63 7.295 -12.392 -5.261 1.00 1.10 H new ATOM 0 HB2 PRO A 63 10.049 -12.482 -5.000 1.00 1.30 H new ATOM 0 HB3 PRO A 63 9.005 -13.856 -4.690 1.00 1.30 H new ATOM 0 HG2 PRO A 63 10.831 -13.392 -6.969 1.00 1.38 H new ATOM 0 HG3 PRO A 63 10.120 -14.897 -6.420 1.00 1.38 H new ATOM 0 HD2 PRO A 63 9.300 -13.338 -8.684 1.00 1.28 H new ATOM 0 HD3 PRO A 63 8.517 -14.779 -8.065 1.00 1.28 H new ATOM 885 N LYS A 64 8.539 -10.454 -7.397 1.00 0.87 N ATOM 886 CA LYS A 64 8.820 -9.063 -7.706 1.00 0.81 C ATOM 887 C LYS A 64 7.504 -8.289 -7.797 1.00 0.70 C ATOM 888 O LYS A 64 7.454 -7.103 -7.473 1.00 0.86 O ATOM 889 CB LYS A 64 9.684 -8.959 -8.966 1.00 0.83 C ATOM 890 CG LYS A 64 9.058 -9.737 -10.125 1.00 1.02 C ATOM 891 CD LYS A 64 9.405 -9.093 -11.468 1.00 1.04 C ATOM 892 CE LYS A 64 8.578 -9.706 -12.600 1.00 1.75 C ATOM 893 NZ LYS A 64 8.604 -8.831 -13.793 1.00 2.19 N ATOM 0 H LYS A 64 8.450 -11.062 -8.211 1.00 0.87 H new ATOM 0 HA LYS A 64 9.404 -8.605 -6.908 1.00 0.81 H new ATOM 0 HB2 LYS A 64 9.800 -7.912 -9.247 1.00 0.83 H new ATOM 0 HB3 LYS A 64 10.682 -9.346 -8.760 1.00 0.83 H new ATOM 0 HG2 LYS A 64 9.413 -10.768 -10.109 1.00 1.02 H new ATOM 0 HG3 LYS A 64 7.975 -9.770 -10.003 1.00 1.02 H new ATOM 0 HD2 LYS A 64 9.222 -8.020 -11.419 1.00 1.04 H new ATOM 0 HD3 LYS A 64 10.467 -9.226 -11.675 1.00 1.04 H new ATOM 0 HE2 LYS A 64 8.972 -10.690 -12.855 1.00 1.75 H new ATOM 0 HE3 LYS A 64 7.549 -9.850 -12.270 1.00 1.75 H new ATOM 0 HZ1 LYS A 64 8.038 -9.262 -14.552 1.00 2.19 H new ATOM 0 HZ2 LYS A 64 8.207 -7.901 -13.550 1.00 2.19 H new ATOM 0 HZ3 LYS A 64 9.585 -8.715 -14.117 1.00 2.19 H new ATOM 907 N THR A 65 6.471 -8.990 -8.240 1.00 0.58 N ATOM 908 CA THR A 65 5.158 -8.383 -8.377 1.00 0.51 C ATOM 909 C THR A 65 4.378 -8.498 -7.066 1.00 0.46 C ATOM 910 O THR A 65 4.136 -9.601 -6.579 1.00 0.56 O ATOM 911 CB THR A 65 4.454 -9.043 -9.563 1.00 0.62 C ATOM 912 OG1 THR A 65 5.145 -8.538 -10.702 1.00 0.72 O ATOM 913 CG2 THR A 65 3.019 -8.542 -9.745 1.00 0.65 C ATOM 0 H THR A 65 6.517 -9.973 -8.509 1.00 0.58 H new ATOM 0 HA THR A 65 5.235 -7.315 -8.580 1.00 0.51 H new ATOM 0 HB THR A 65 4.446 -10.124 -9.424 1.00 0.62 H new ATOM 0 HG1 THR A 65 4.753 -8.917 -11.517 1.00 0.72 H new ATOM 0 HG21 THR A 65 2.565 -9.042 -10.600 1.00 0.65 H new ATOM 0 HG22 THR A 65 2.441 -8.761 -8.847 1.00 0.65 H new ATOM 0 HG23 THR A 65 3.028 -7.466 -9.917 1.00 0.65 H new ATOM 921 N MET A 66 4.005 -7.344 -6.532 1.00 0.42 N ATOM 922 CA MET A 66 3.257 -7.301 -5.288 1.00 0.41 C ATOM 923 C MET A 66 1.817 -6.846 -5.529 1.00 0.39 C ATOM 924 O MET A 66 1.545 -6.107 -6.474 1.00 0.39 O ATOM 925 CB MET A 66 3.940 -6.339 -4.314 1.00 0.43 C ATOM 926 CG MET A 66 4.578 -7.100 -3.149 1.00 0.53 C ATOM 927 SD MET A 66 5.566 -8.451 -3.768 1.00 1.38 S ATOM 928 CE MET A 66 6.857 -7.536 -4.594 1.00 0.78 C ATOM 0 H MET A 66 4.207 -6.431 -6.939 1.00 0.42 H new ATOM 0 HA MET A 66 3.235 -8.305 -4.865 1.00 0.41 H new ATOM 0 HB2 MET A 66 4.703 -5.765 -4.839 1.00 0.43 H new ATOM 0 HB3 MET A 66 3.211 -5.625 -3.931 1.00 0.43 H new ATOM 0 HG2 MET A 66 5.199 -6.425 -2.560 1.00 0.53 H new ATOM 0 HG3 MET A 66 3.802 -7.481 -2.485 1.00 0.53 H new ATOM 0 HE1 MET A 66 7.622 -8.226 -4.949 1.00 0.78 H new ATOM 0 HE2 MET A 66 6.435 -6.996 -5.441 1.00 0.78 H new ATOM 0 HE3 MET A 66 7.303 -6.826 -3.897 1.00 0.78 H new ATOM 938 N VAL A 67 0.930 -7.307 -4.659 1.00 0.44 N ATOM 939 CA VAL A 67 -0.476 -6.957 -4.765 1.00 0.46 C ATOM 940 C VAL A 67 -1.108 -6.973 -3.372 1.00 0.46 C ATOM 941 O VAL A 67 -1.087 -7.996 -2.689 1.00 0.51 O ATOM 942 CB VAL A 67 -1.176 -7.895 -5.751 1.00 0.53 C ATOM 943 CG1 VAL A 67 -2.685 -7.926 -5.500 1.00 1.78 C ATOM 944 CG2 VAL A 67 -0.868 -7.499 -7.197 1.00 1.92 C ATOM 0 H VAL A 67 1.158 -7.921 -3.877 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.590 -5.948 -5.161 1.00 0.46 H new ATOM 0 HB VAL A 67 -0.789 -8.901 -5.590 1.00 0.53 H new ATOM 0 HG11 VAL A 67 -3.159 -8.600 -6.214 1.00 1.78 H new ATOM 0 HG12 VAL A 67 -2.878 -8.277 -4.486 1.00 1.78 H new ATOM 0 HG13 VAL A 67 -3.095 -6.923 -5.621 1.00 1.78 H new ATOM 0 HG21 VAL A 67 -1.377 -8.181 -7.877 1.00 1.92 H new ATOM 0 HG22 VAL A 67 -1.214 -6.481 -7.377 1.00 1.92 H new ATOM 0 HG23 VAL A 67 0.207 -7.552 -7.368 1.00 1.92 H new ATOM 954 N ILE A 68 -1.656 -5.828 -2.992 1.00 0.44 N ATOM 955 CA ILE A 68 -2.294 -5.698 -1.693 1.00 0.45 C ATOM 956 C ILE A 68 -3.783 -6.019 -1.827 1.00 0.45 C ATOM 957 O ILE A 68 -4.483 -5.410 -2.633 1.00 0.46 O ATOM 958 CB ILE A 68 -2.013 -4.319 -1.094 1.00 0.47 C ATOM 959 CG1 ILE A 68 -0.816 -4.367 -0.142 1.00 0.51 C ATOM 960 CG2 ILE A 68 -3.262 -3.752 -0.417 1.00 0.52 C ATOM 961 CD1 ILE A 68 0.502 -4.346 -0.918 1.00 0.53 C ATOM 0 H ILE A 68 -1.671 -4.982 -3.561 1.00 0.44 H new ATOM 0 HA ILE A 68 -1.875 -6.417 -0.989 1.00 0.45 H new ATOM 0 HB ILE A 68 -1.750 -3.641 -1.906 1.00 0.47 H new ATOM 0 HG12 ILE A 68 -0.854 -3.517 0.540 1.00 0.51 H new ATOM 0 HG13 ILE A 68 -0.868 -5.268 0.469 1.00 0.51 H new ATOM 0 HG21 ILE A 68 -3.036 -2.771 0.001 1.00 0.52 H new ATOM 0 HG22 ILE A 68 -4.063 -3.658 -1.151 1.00 0.52 H new ATOM 0 HG23 ILE A 68 -3.579 -4.422 0.382 1.00 0.52 H new ATOM 0 HD11 ILE A 68 1.337 -4.381 -0.218 1.00 0.53 H new ATOM 0 HD12 ILE A 68 0.548 -5.210 -1.581 1.00 0.53 H new ATOM 0 HD13 ILE A 68 0.562 -3.432 -1.509 1.00 0.53 H new ATOM 973 N THR A 69 -4.224 -6.976 -1.023 1.00 0.46 N ATOM 974 CA THR A 69 -5.618 -7.386 -1.041 1.00 0.48 C ATOM 975 C THR A 69 -6.174 -7.448 0.383 1.00 0.46 C ATOM 976 O THR A 69 -5.812 -8.334 1.156 1.00 0.51 O ATOM 977 CB THR A 69 -5.710 -8.719 -1.788 1.00 0.55 C ATOM 978 OG1 THR A 69 -6.469 -8.411 -2.954 1.00 0.61 O ATOM 979 CG2 THR A 69 -6.566 -9.747 -1.047 1.00 0.51 C ATOM 0 H THR A 69 -3.640 -7.479 -0.355 1.00 0.46 H new ATOM 0 HA THR A 69 -6.237 -6.659 -1.567 1.00 0.48 H new ATOM 0 HB THR A 69 -4.708 -9.121 -1.938 1.00 0.55 H new ATOM 0 HG1 THR A 69 -6.576 -9.219 -3.498 1.00 0.61 H new ATOM 0 HG21 THR A 69 -6.598 -10.674 -1.620 1.00 0.51 H new ATOM 0 HG22 THR A 69 -6.133 -9.941 -0.066 1.00 0.51 H new ATOM 0 HG23 THR A 69 -7.578 -9.359 -0.927 1.00 0.51 H new ATOM 987 N PRO A 70 -7.068 -6.472 0.694 1.00 0.43 N ATOM 988 CA PRO A 70 -7.678 -6.408 2.011 1.00 0.45 C ATOM 989 C PRO A 70 -8.749 -7.487 2.173 1.00 0.46 C ATOM 990 O PRO A 70 -9.569 -7.692 1.279 1.00 0.49 O ATOM 991 CB PRO A 70 -8.235 -4.997 2.118 1.00 0.49 C ATOM 992 CG PRO A 70 -8.328 -4.477 0.693 1.00 0.51 C ATOM 993 CD PRO A 70 -7.520 -5.407 -0.197 1.00 0.46 C ATOM 0 HA PRO A 70 -6.967 -6.604 2.814 1.00 0.45 H new ATOM 0 HB2 PRO A 70 -9.214 -4.999 2.598 1.00 0.49 H new ATOM 0 HB3 PRO A 70 -7.585 -4.365 2.723 1.00 0.49 H new ATOM 0 HG2 PRO A 70 -9.367 -4.444 0.366 1.00 0.51 H new ATOM 0 HG3 PRO A 70 -7.942 -3.460 0.632 1.00 0.51 H new ATOM 0 HD2 PRO A 70 -8.127 -5.803 -1.011 1.00 0.46 H new ATOM 0 HD3 PRO A 70 -6.677 -4.887 -0.652 1.00 0.46 H new ATOM 1001 N ALA A 71 -8.708 -8.150 3.320 1.00 0.51 N ATOM 1002 CA ALA A 71 -9.665 -9.203 3.610 1.00 0.58 C ATOM 1003 C ALA A 71 -11.068 -8.601 3.702 1.00 0.64 C ATOM 1004 O ALA A 71 -12.048 -9.239 3.318 1.00 0.79 O ATOM 1005 CB ALA A 71 -9.256 -9.925 4.896 1.00 0.64 C ATOM 0 H ALA A 71 -8.027 -7.978 4.059 1.00 0.51 H new ATOM 0 HA ALA A 71 -9.675 -9.942 2.809 1.00 0.58 H new ATOM 0 HB1 ALA A 71 -9.974 -10.715 5.114 1.00 0.64 H new ATOM 0 HB2 ALA A 71 -8.265 -10.360 4.769 1.00 0.64 H new ATOM 0 HB3 ALA A 71 -9.237 -9.214 5.722 1.00 0.64 H new ATOM 1011 N SER A 72 -11.121 -7.380 4.212 1.00 0.61 N ATOM 1012 CA SER A 72 -12.389 -6.685 4.359 1.00 0.70 C ATOM 1013 C SER A 72 -12.570 -5.681 3.218 1.00 0.61 C ATOM 1014 O SER A 72 -11.592 -5.201 2.648 1.00 0.54 O ATOM 1015 CB SER A 72 -12.473 -5.973 5.711 1.00 0.81 C ATOM 1016 OG SER A 72 -13.650 -6.330 6.431 1.00 1.01 O ATOM 0 H SER A 72 -10.307 -6.854 4.529 1.00 0.61 H new ATOM 0 HA SER A 72 -13.191 -7.422 4.317 1.00 0.70 H new ATOM 0 HB2 SER A 72 -11.595 -6.221 6.307 1.00 0.81 H new ATOM 0 HB3 SER A 72 -12.457 -4.894 5.554 1.00 0.81 H new ATOM 0 HG SER A 72 -13.665 -5.856 7.289 1.00 1.01 H new ATOM 1022 N PRO A 73 -13.862 -5.386 2.913 1.00 0.65 N ATOM 1023 CA PRO A 73 -14.184 -4.449 1.850 1.00 0.61 C ATOM 1024 C PRO A 73 -13.924 -3.007 2.293 1.00 0.53 C ATOM 1025 O PRO A 73 -14.421 -2.574 3.332 1.00 0.61 O ATOM 1026 CB PRO A 73 -15.644 -4.714 1.521 1.00 0.72 C ATOM 1027 CG PRO A 73 -16.213 -5.460 2.717 1.00 0.80 C ATOM 1028 CD PRO A 73 -15.046 -5.935 3.567 1.00 0.77 C ATOM 0 HA PRO A 73 -13.559 -4.584 0.967 1.00 0.61 H new ATOM 0 HB2 PRO A 73 -16.181 -3.781 1.351 1.00 0.72 H new ATOM 0 HB3 PRO A 73 -15.738 -5.306 0.611 1.00 0.72 H new ATOM 0 HG2 PRO A 73 -16.868 -4.809 3.297 1.00 0.80 H new ATOM 0 HG3 PRO A 73 -16.815 -6.307 2.388 1.00 0.80 H new ATOM 0 HD2 PRO A 73 -15.133 -5.578 4.593 1.00 0.77 H new ATOM 0 HD3 PRO A 73 -15.005 -7.023 3.611 1.00 0.77 H new ATOM 1036 N LEU A 74 -13.144 -2.305 1.485 1.00 0.45 N ATOM 1037 CA LEU A 74 -12.811 -0.922 1.779 1.00 0.43 C ATOM 1038 C LEU A 74 -14.050 -0.049 1.570 1.00 0.44 C ATOM 1039 O LEU A 74 -14.548 0.070 0.452 1.00 0.50 O ATOM 1040 CB LEU A 74 -11.599 -0.476 0.961 1.00 0.48 C ATOM 1041 CG LEU A 74 -10.330 -1.316 1.128 1.00 0.50 C ATOM 1042 CD1 LEU A 74 -9.325 -1.019 0.013 1.00 0.57 C ATOM 1043 CD2 LEU A 74 -9.721 -1.119 2.517 1.00 0.53 C ATOM 0 H LEU A 74 -12.732 -2.669 0.626 1.00 0.45 H new ATOM 0 HA LEU A 74 -12.517 -0.815 2.823 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -11.876 -0.479 -0.093 1.00 0.48 H new ATOM 0 HB3 LEU A 74 -11.366 0.555 1.227 1.00 0.48 H new ATOM 0 HG LEU A 74 -10.603 -2.368 1.043 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -8.433 -1.629 0.155 1.00 0.57 H new ATOM 0 HD12 LEU A 74 -9.774 -1.252 -0.953 1.00 0.57 H new ATOM 0 HD13 LEU A 74 -9.052 0.036 0.041 1.00 0.57 H new ATOM 0 HD21 LEU A 74 -8.821 -1.727 2.609 1.00 0.53 H new ATOM 0 HD22 LEU A 74 -9.465 -0.069 2.657 1.00 0.53 H new ATOM 0 HD23 LEU A 74 -10.442 -1.421 3.277 1.00 0.53 H new ATOM 1055 N THR A 75 -14.511 0.541 2.664 1.00 0.44 N ATOM 1056 CA THR A 75 -15.681 1.400 2.614 1.00 0.48 C ATOM 1057 C THR A 75 -15.268 2.850 2.348 1.00 0.49 C ATOM 1058 O THR A 75 -14.085 3.182 2.406 1.00 0.52 O ATOM 1059 CB THR A 75 -16.457 1.220 3.919 1.00 0.56 C ATOM 1060 OG1 THR A 75 -15.514 1.561 4.932 1.00 0.67 O ATOM 1061 CG2 THR A 75 -16.793 -0.246 4.203 1.00 0.60 C ATOM 0 H THR A 75 -14.095 0.441 3.590 1.00 0.44 H new ATOM 0 HA THR A 75 -16.337 1.125 1.788 1.00 0.48 H new ATOM 0 HB THR A 75 -17.377 1.802 3.878 1.00 0.56 H new ATOM 0 HG1 THR A 75 -15.934 1.474 5.813 1.00 0.67 H new ATOM 0 HG21 THR A 75 -17.344 -0.318 5.141 1.00 0.60 H new ATOM 0 HG22 THR A 75 -17.404 -0.643 3.392 1.00 0.60 H new ATOM 0 HG23 THR A 75 -15.871 -0.823 4.279 1.00 0.60 H new ATOM 1069 N ALA A 76 -16.267 3.673 2.062 1.00 0.51 N ATOM 1070 CA ALA A 76 -16.022 5.078 1.788 1.00 0.55 C ATOM 1071 C ALA A 76 -15.101 5.651 2.867 1.00 0.57 C ATOM 1072 O ALA A 76 -14.874 5.017 3.895 1.00 0.69 O ATOM 1073 CB ALA A 76 -17.356 5.822 1.704 1.00 0.61 C ATOM 0 H ALA A 76 -17.247 3.393 2.014 1.00 0.51 H new ATOM 0 HA ALA A 76 -15.520 5.200 0.828 1.00 0.55 H new ATOM 0 HB1 ALA A 76 -17.172 6.877 1.498 1.00 0.61 H new ATOM 0 HB2 ALA A 76 -17.960 5.396 0.903 1.00 0.61 H new ATOM 0 HB3 ALA A 76 -17.887 5.724 2.651 1.00 0.61 H new ATOM 1079 N GLY A 77 -14.595 6.846 2.595 1.00 0.57 N ATOM 1080 CA GLY A 77 -13.704 7.511 3.530 1.00 0.62 C ATOM 1081 C GLY A 77 -12.362 7.836 2.871 1.00 0.59 C ATOM 1082 O GLY A 77 -12.293 8.035 1.659 1.00 0.62 O ATOM 0 H GLY A 77 -14.785 7.370 1.741 1.00 0.57 H new ATOM 0 HA2 GLY A 77 -14.168 8.429 3.890 1.00 0.62 H new ATOM 0 HA3 GLY A 77 -13.542 6.874 4.399 1.00 0.62 H new ATOM 1086 N THR A 78 -11.328 7.880 3.699 1.00 0.60 N ATOM 1087 CA THR A 78 -9.992 8.178 3.212 1.00 0.60 C ATOM 1088 C THR A 78 -8.964 7.266 3.884 1.00 0.54 C ATOM 1089 O THR A 78 -8.956 7.129 5.107 1.00 0.60 O ATOM 1090 CB THR A 78 -9.725 9.666 3.443 1.00 0.69 C ATOM 1091 OG1 THR A 78 -10.088 10.279 2.208 1.00 0.82 O ATOM 1092 CG2 THR A 78 -8.235 9.978 3.588 1.00 1.22 C ATOM 0 H THR A 78 -11.389 7.714 4.704 1.00 0.60 H new ATOM 0 HA THR A 78 -9.908 7.980 2.143 1.00 0.60 H new ATOM 0 HB THR A 78 -10.254 9.995 4.338 1.00 0.69 H new ATOM 0 HG1 THR A 78 -10.780 9.743 1.768 1.00 0.82 H new ATOM 0 HG21 THR A 78 -8.101 11.048 3.750 1.00 1.22 H new ATOM 0 HG22 THR A 78 -7.829 9.429 4.438 1.00 1.22 H new ATOM 0 HG23 THR A 78 -7.711 9.680 2.680 1.00 1.22 H new ATOM 1100 N TYR A 79 -8.122 6.664 3.057 1.00 0.46 N ATOM 1101 CA TYR A 79 -7.093 5.768 3.556 1.00 0.41 C ATOM 1102 C TYR A 79 -5.750 6.046 2.878 1.00 0.38 C ATOM 1103 O TYR A 79 -5.684 6.794 1.904 1.00 0.42 O ATOM 1104 CB TYR A 79 -7.551 4.355 3.194 1.00 0.41 C ATOM 1105 CG TYR A 79 -8.982 4.033 3.632 1.00 0.42 C ATOM 1106 CD1 TYR A 79 -10.047 4.676 3.035 1.00 1.67 C ATOM 1107 CD2 TYR A 79 -9.206 3.100 4.624 1.00 2.00 C ATOM 1108 CE1 TYR A 79 -11.393 4.373 3.448 1.00 1.68 C ATOM 1109 CE2 TYR A 79 -10.552 2.797 5.036 1.00 2.02 C ATOM 1110 CZ TYR A 79 -11.579 3.449 4.428 1.00 0.54 C ATOM 1111 OH TYR A 79 -12.850 3.163 4.818 1.00 0.62 O ATOM 0 H TYR A 79 -8.132 6.779 2.044 1.00 0.46 H new ATOM 0 HA TYR A 79 -6.957 5.900 4.629 1.00 0.41 H new ATOM 0 HB2 TYR A 79 -7.474 4.225 2.115 1.00 0.41 H new ATOM 0 HB3 TYR A 79 -6.871 3.636 3.651 1.00 0.41 H new ATOM 0 HD1 TYR A 79 -9.871 5.406 2.259 1.00 1.67 H new ATOM 0 HD2 TYR A 79 -8.372 2.597 5.091 1.00 2.00 H new ATOM 0 HE1 TYR A 79 -12.236 4.869 2.989 1.00 1.68 H new ATOM 0 HE2 TYR A 79 -10.742 2.068 5.810 1.00 2.02 H new ATOM 0 HH TYR A 79 -13.462 3.304 4.066 1.00 0.62 H new ATOM 1121 N LYS A 80 -4.710 5.427 3.420 1.00 0.40 N ATOM 1122 CA LYS A 80 -3.372 5.597 2.880 1.00 0.41 C ATOM 1123 C LYS A 80 -2.612 4.274 2.986 1.00 0.39 C ATOM 1124 O LYS A 80 -2.346 3.794 4.086 1.00 0.43 O ATOM 1125 CB LYS A 80 -2.665 6.770 3.561 1.00 0.48 C ATOM 1126 CG LYS A 80 -1.175 6.789 3.215 1.00 1.22 C ATOM 1127 CD LYS A 80 -0.317 6.691 4.477 1.00 2.08 C ATOM 1128 CE LYS A 80 0.249 8.060 4.863 1.00 2.10 C ATOM 1129 NZ LYS A 80 1.703 7.966 5.123 1.00 3.18 N ATOM 0 H LYS A 80 -4.768 4.807 4.228 1.00 0.40 H new ATOM 0 HA LYS A 80 -3.418 5.854 1.822 1.00 0.41 H new ATOM 0 HB2 LYS A 80 -3.126 7.707 3.250 1.00 0.48 H new ATOM 0 HB3 LYS A 80 -2.790 6.697 4.641 1.00 0.48 H new ATOM 0 HG2 LYS A 80 -0.943 5.959 2.548 1.00 1.22 H new ATOM 0 HG3 LYS A 80 -0.935 7.707 2.678 1.00 1.22 H new ATOM 0 HD2 LYS A 80 -0.915 6.296 5.298 1.00 2.08 H new ATOM 0 HD3 LYS A 80 0.500 5.989 4.312 1.00 2.08 H new ATOM 0 HE2 LYS A 80 0.062 8.776 4.063 1.00 2.10 H new ATOM 0 HE3 LYS A 80 -0.262 8.434 5.750 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 2.061 8.892 5.433 1.00 3.18 H new ATOM 0 HZ2 LYS A 80 1.878 7.261 5.867 1.00 3.18 H new ATOM 0 HZ3 LYS A 80 2.194 7.679 4.252 1.00 3.18 H new ATOM 1143 N VAL A 81 -2.282 3.723 1.827 1.00 0.38 N ATOM 1144 CA VAL A 81 -1.557 2.465 1.777 1.00 0.38 C ATOM 1145 C VAL A 81 -0.054 2.745 1.826 1.00 0.39 C ATOM 1146 O VAL A 81 0.496 3.367 0.918 1.00 0.48 O ATOM 1147 CB VAL A 81 -1.976 1.669 0.539 1.00 0.37 C ATOM 1148 CG1 VAL A 81 -0.847 0.750 0.070 1.00 0.83 C ATOM 1149 CG2 VAL A 81 -3.256 0.874 0.806 1.00 0.87 C ATOM 0 H VAL A 81 -2.503 4.125 0.916 1.00 0.38 H new ATOM 0 HA VAL A 81 -1.801 1.849 2.642 1.00 0.38 H new ATOM 0 HB VAL A 81 -2.184 2.379 -0.262 1.00 0.37 H new ATOM 0 HG11 VAL A 81 -1.171 0.196 -0.811 1.00 0.83 H new ATOM 0 HG12 VAL A 81 0.029 1.348 -0.180 1.00 0.83 H new ATOM 0 HG13 VAL A 81 -0.593 0.050 0.866 1.00 0.83 H new ATOM 0 HG21 VAL A 81 -3.532 0.317 -0.090 1.00 0.87 H new ATOM 0 HG22 VAL A 81 -3.087 0.178 1.628 1.00 0.87 H new ATOM 0 HG23 VAL A 81 -4.062 1.559 1.070 1.00 0.87 H new ATOM 1159 N ASP A 82 0.568 2.273 2.897 1.00 0.47 N ATOM 1160 CA ASP A 82 1.998 2.465 3.076 1.00 0.50 C ATOM 1161 C ASP A 82 2.735 1.192 2.657 1.00 0.52 C ATOM 1162 O ASP A 82 2.448 0.108 3.163 1.00 0.65 O ATOM 1163 CB ASP A 82 2.336 2.747 4.542 1.00 0.61 C ATOM 1164 CG ASP A 82 1.263 3.516 5.315 1.00 0.92 C ATOM 1165 OD1 ASP A 82 0.128 2.914 5.420 1.00 2.31 O ATOM 1166 OD2 ASP A 82 1.502 4.636 5.795 1.00 1.62 O ATOM 0 H ASP A 82 0.109 1.759 3.649 1.00 0.47 H new ATOM 0 HA ASP A 82 2.304 3.315 2.465 1.00 0.50 H new ATOM 0 HB2 ASP A 82 2.517 1.798 5.047 1.00 0.61 H new ATOM 0 HB3 ASP A 82 3.267 3.312 4.583 1.00 0.61 H new ATOM 1171 N TRP A 83 3.673 1.365 1.737 1.00 0.45 N ATOM 1172 CA TRP A 83 4.455 0.244 1.244 1.00 0.49 C ATOM 1173 C TRP A 83 5.925 0.512 1.572 1.00 0.52 C ATOM 1174 O TRP A 83 6.320 1.659 1.776 1.00 0.47 O ATOM 1175 CB TRP A 83 4.207 0.016 -0.248 1.00 0.47 C ATOM 1176 CG TRP A 83 4.402 1.265 -1.109 1.00 0.41 C ATOM 1177 CD1 TRP A 83 3.461 2.070 -1.621 1.00 0.41 C ATOM 1178 CD2 TRP A 83 5.660 1.824 -1.541 1.00 0.42 C ATOM 1179 NE1 TRP A 83 4.019 3.102 -2.348 1.00 0.42 N ATOM 1180 CE2 TRP A 83 5.399 2.947 -2.298 1.00 0.41 C ATOM 1181 CE3 TRP A 83 6.978 1.393 -1.299 1.00 0.47 C ATOM 1182 CZ2 TRP A 83 6.403 3.734 -2.875 1.00 0.45 C ATOM 1183 CZ3 TRP A 83 7.970 2.191 -1.883 1.00 0.50 C ATOM 1184 CH2 TRP A 83 7.722 3.324 -2.648 1.00 0.49 C ATOM 0 H TRP A 83 3.909 2.265 1.320 1.00 0.45 H new ATOM 0 HA TRP A 83 4.153 -0.682 1.733 1.00 0.49 H new ATOM 0 HB2 TRP A 83 4.879 -0.766 -0.602 1.00 0.47 H new ATOM 0 HB3 TRP A 83 3.190 -0.352 -0.385 1.00 0.47 H new ATOM 0 HD1 TRP A 83 2.399 1.929 -1.482 1.00 0.41 H new ATOM 0 HE1 TRP A 83 3.512 3.842 -2.833 1.00 0.42 H new ATOM 0 HE3 TRP A 83 7.206 0.517 -0.710 1.00 0.47 H new ATOM 0 HZ2 TRP A 83 6.172 4.610 -3.463 1.00 0.45 H new ATOM 0 HZ3 TRP A 83 9.000 1.906 -1.728 1.00 0.50 H new ATOM 0 HH2 TRP A 83 8.544 3.886 -3.066 1.00 0.49 H new ATOM 1195 N ARG A 84 6.695 -0.566 1.612 1.00 0.64 N ATOM 1196 CA ARG A 84 8.113 -0.462 1.912 1.00 0.69 C ATOM 1197 C ARG A 84 8.904 -1.495 1.106 1.00 0.75 C ATOM 1198 O ARG A 84 8.650 -2.694 1.210 1.00 0.83 O ATOM 1199 CB ARG A 84 8.379 -0.676 3.403 1.00 0.80 C ATOM 1200 CG ARG A 84 8.354 0.653 4.160 1.00 0.87 C ATOM 1201 CD ARG A 84 7.147 0.728 5.098 1.00 1.27 C ATOM 1202 NE ARG A 84 7.571 1.212 6.431 1.00 1.38 N ATOM 1203 CZ ARG A 84 8.295 0.483 7.306 1.00 2.33 C ATOM 1204 NH1 ARG A 84 8.683 -0.772 6.997 1.00 3.25 N ATOM 1205 NH2 ARG A 84 8.618 1.016 8.470 1.00 3.17 N ATOM 0 H ARG A 84 6.364 -1.515 1.442 1.00 0.64 H new ATOM 0 HA ARG A 84 8.436 0.542 1.638 1.00 0.69 H new ATOM 0 HB2 ARG A 84 7.628 -1.349 3.817 1.00 0.80 H new ATOM 0 HB3 ARG A 84 9.348 -1.157 3.538 1.00 0.80 H new ATOM 0 HG2 ARG A 84 9.273 0.765 4.735 1.00 0.87 H new ATOM 0 HG3 ARG A 84 8.319 1.479 3.450 1.00 0.87 H new ATOM 0 HD2 ARG A 84 6.394 1.397 4.682 1.00 1.27 H new ATOM 0 HD3 ARG A 84 6.685 -0.255 5.189 1.00 1.27 H new ATOM 0 HE ARG A 84 7.299 2.156 6.706 1.00 1.38 H new ATOM 0 HH11 ARG A 84 8.429 -1.177 6.096 1.00 3.25 H new ATOM 0 HH12 ARG A 84 9.230 -1.316 7.665 1.00 3.25 H new ATOM 0 HH21 ARG A 84 8.321 1.965 8.696 1.00 3.17 H new ATOM 0 HH22 ARG A 84 9.165 0.479 9.143 1.00 3.17 H new ATOM 1219 N ALA A 85 9.844 -0.992 0.320 1.00 0.78 N ATOM 1220 CA ALA A 85 10.673 -1.857 -0.503 1.00 0.86 C ATOM 1221 C ALA A 85 12.082 -1.922 0.092 1.00 0.91 C ATOM 1222 O ALA A 85 12.579 -0.934 0.629 1.00 0.80 O ATOM 1223 CB ALA A 85 10.671 -1.345 -1.944 1.00 0.88 C ATOM 0 H ALA A 85 10.050 0.003 0.235 1.00 0.78 H new ATOM 0 HA ALA A 85 10.274 -2.871 -0.517 1.00 0.86 H new ATOM 0 HB1 ALA A 85 11.293 -1.993 -2.561 1.00 0.88 H new ATOM 0 HB2 ALA A 85 9.651 -1.346 -2.329 1.00 0.88 H new ATOM 0 HB3 ALA A 85 11.068 -0.330 -1.970 1.00 0.88 H new ATOM 1229 N VAL A 86 12.685 -3.097 -0.023 1.00 1.33 N ATOM 1230 CA VAL A 86 14.026 -3.303 0.495 1.00 1.46 C ATOM 1231 C VAL A 86 14.831 -4.137 -0.504 1.00 1.69 C ATOM 1232 O VAL A 86 14.533 -5.309 -0.723 1.00 2.12 O ATOM 1233 CB VAL A 86 13.957 -3.939 1.885 1.00 1.61 C ATOM 1234 CG1 VAL A 86 15.359 -4.197 2.440 1.00 2.31 C ATOM 1235 CG2 VAL A 86 13.137 -3.074 2.844 1.00 2.24 C ATOM 0 H VAL A 86 12.269 -3.915 -0.467 1.00 1.33 H new ATOM 0 HA VAL A 86 14.541 -2.350 0.613 1.00 1.46 H new ATOM 0 HB VAL A 86 13.453 -4.901 1.789 1.00 1.61 H new ATOM 0 HG11 VAL A 86 15.281 -4.649 3.429 1.00 2.31 H new ATOM 0 HG12 VAL A 86 15.896 -4.872 1.773 1.00 2.31 H new ATOM 0 HG13 VAL A 86 15.900 -3.254 2.514 1.00 2.31 H new ATOM 0 HG21 VAL A 86 13.104 -3.549 3.825 1.00 2.24 H new ATOM 0 HG22 VAL A 86 13.599 -2.091 2.933 1.00 2.24 H new ATOM 0 HG23 VAL A 86 12.123 -2.965 2.459 1.00 2.24 H new ATOM 1245 N SER A 87 15.836 -3.497 -1.084 1.00 1.82 N ATOM 1246 CA SER A 87 16.688 -4.164 -2.054 1.00 2.13 C ATOM 1247 C SER A 87 17.686 -5.075 -1.336 1.00 2.08 C ATOM 1248 O SER A 87 17.652 -6.292 -1.503 1.00 3.27 O ATOM 1249 CB SER A 87 17.428 -3.149 -2.928 1.00 2.55 C ATOM 1250 OG SER A 87 18.353 -3.779 -3.810 1.00 3.50 O ATOM 0 H SER A 87 16.079 -2.524 -0.901 1.00 1.82 H new ATOM 0 HA SER A 87 16.056 -4.770 -2.704 1.00 2.13 H new ATOM 0 HB2 SER A 87 16.706 -2.576 -3.509 1.00 2.55 H new ATOM 0 HB3 SER A 87 17.959 -2.441 -2.291 1.00 2.55 H new ATOM 0 HG SER A 87 18.804 -3.098 -4.352 1.00 3.50 H new ATOM 1256 N SER A 88 18.552 -4.448 -0.553 1.00 1.68 N ATOM 1257 CA SER A 88 19.559 -5.188 0.191 1.00 1.87 C ATOM 1258 C SER A 88 20.358 -4.233 1.079 1.00 2.00 C ATOM 1259 O SER A 88 20.406 -4.404 2.296 1.00 2.93 O ATOM 1260 CB SER A 88 20.494 -5.945 -0.753 1.00 2.43 C ATOM 1261 OG SER A 88 21.063 -7.094 -0.131 1.00 3.00 O ATOM 0 H SER A 88 18.578 -3.437 -0.417 1.00 1.68 H new ATOM 0 HA SER A 88 19.053 -5.920 0.820 1.00 1.87 H new ATOM 0 HB2 SER A 88 19.943 -6.250 -1.642 1.00 2.43 H new ATOM 0 HB3 SER A 88 21.291 -5.280 -1.085 1.00 2.43 H new ATOM 0 HG SER A 88 21.653 -7.552 -0.766 1.00 3.00 H new ATOM 1267 N ASP A 89 20.968 -3.248 0.436 1.00 2.29 N ATOM 1268 CA ASP A 89 21.763 -2.266 1.152 1.00 2.73 C ATOM 1269 C ASP A 89 20.967 -1.746 2.351 1.00 2.30 C ATOM 1270 O ASP A 89 19.766 -1.989 2.454 1.00 3.03 O ATOM 1271 CB ASP A 89 22.102 -1.071 0.256 1.00 3.80 C ATOM 1272 CG ASP A 89 23.597 -0.803 0.076 1.00 4.87 C ATOM 1273 OD1 ASP A 89 24.374 -1.340 0.895 1.00 5.07 O ATOM 1274 OD2 ASP A 89 23.931 -0.066 -0.877 1.00 6.11 O ATOM 0 H ASP A 89 20.927 -3.109 -0.574 1.00 2.29 H new ATOM 0 HA ASP A 89 22.685 -2.750 1.473 1.00 2.73 H new ATOM 0 HB2 ASP A 89 21.656 -1.234 -0.725 1.00 3.80 H new ATOM 0 HB3 ASP A 89 21.636 -0.179 0.674 1.00 3.80 H new ATOM 1279 N THR A 90 21.668 -1.040 3.225 1.00 2.31 N ATOM 1280 CA THR A 90 21.041 -0.484 4.413 1.00 2.63 C ATOM 1281 C THR A 90 20.353 0.840 4.081 1.00 2.18 C ATOM 1282 O THR A 90 20.692 1.879 4.647 1.00 3.19 O ATOM 1283 CB THR A 90 22.112 -0.358 5.498 1.00 4.01 C ATOM 1284 OG1 THR A 90 22.396 -1.705 5.864 1.00 4.91 O ATOM 1285 CG2 THR A 90 21.572 0.272 6.784 1.00 5.23 C ATOM 0 H THR A 90 22.664 -0.840 3.135 1.00 2.31 H new ATOM 0 HA THR A 90 20.254 -1.138 4.789 1.00 2.63 H new ATOM 0 HB THR A 90 22.941 0.241 5.121 1.00 4.01 H new ATOM 0 HG1 THR A 90 23.083 -1.716 6.563 1.00 4.91 H new ATOM 0 HG21 THR A 90 22.373 0.338 7.521 1.00 5.23 H new ATOM 0 HG22 THR A 90 21.194 1.271 6.569 1.00 5.23 H new ATOM 0 HG23 THR A 90 20.765 -0.344 7.180 1.00 5.23 H new ATOM 1293 N HIS A 91 19.398 0.762 3.167 1.00 1.99 N ATOM 1294 CA HIS A 91 18.658 1.943 2.753 1.00 1.94 C ATOM 1295 C HIS A 91 17.306 1.524 2.173 1.00 1.47 C ATOM 1296 O HIS A 91 17.182 1.317 0.967 1.00 1.59 O ATOM 1297 CB HIS A 91 19.484 2.788 1.782 1.00 2.83 C ATOM 1298 CG HIS A 91 18.897 4.152 1.503 1.00 3.34 C ATOM 1299 ND1 HIS A 91 17.959 4.375 0.511 1.00 4.62 N ATOM 1300 CD2 HIS A 91 19.123 5.359 2.097 1.00 3.79 C ATOM 1301 CE1 HIS A 91 17.643 5.662 0.515 1.00 5.40 C ATOM 1302 NE2 HIS A 91 18.367 6.269 1.499 1.00 4.78 N ATOM 0 H HIS A 91 19.119 -0.101 2.701 1.00 1.99 H new ATOM 0 HA HIS A 91 18.462 2.576 3.618 1.00 1.94 H new ATOM 0 HB2 HIS A 91 20.488 2.912 2.188 1.00 2.83 H new ATOM 0 HB3 HIS A 91 19.585 2.247 0.841 1.00 2.83 H new ATOM 0 HD2 HIS A 91 19.803 5.542 2.916 1.00 3.79 H new ATOM 0 HE1 HIS A 91 16.937 6.145 -0.144 1.00 5.40 H new ATOM 0 HE2 HIS A 91 18.332 7.261 1.736 1.00 4.78 H new ATOM 1310 N PRO A 92 16.301 1.409 3.081 1.00 1.22 N ATOM 1311 CA PRO A 92 14.962 1.020 2.673 1.00 1.00 C ATOM 1312 C PRO A 92 14.245 2.175 1.972 1.00 0.87 C ATOM 1313 O PRO A 92 14.515 3.342 2.255 1.00 1.00 O ATOM 1314 CB PRO A 92 14.271 0.579 3.953 1.00 1.29 C ATOM 1315 CG PRO A 92 15.085 1.174 5.090 1.00 1.59 C ATOM 1316 CD PRO A 92 16.411 1.648 4.518 1.00 1.55 C ATOM 0 HA PRO A 92 14.964 0.213 1.941 1.00 1.00 H new ATOM 0 HB2 PRO A 92 13.241 0.933 3.983 1.00 1.29 H new ATOM 0 HB3 PRO A 92 14.237 -0.508 4.024 1.00 1.29 H new ATOM 0 HG2 PRO A 92 14.549 2.005 5.549 1.00 1.59 H new ATOM 0 HG3 PRO A 92 15.250 0.431 5.870 1.00 1.59 H new ATOM 0 HD2 PRO A 92 16.580 2.703 4.732 1.00 1.55 H new ATOM 0 HD3 PRO A 92 17.247 1.097 4.948 1.00 1.55 H new ATOM 1324 N ILE A 93 13.343 1.811 1.071 1.00 0.83 N ATOM 1325 CA ILE A 93 12.585 2.804 0.329 1.00 0.80 C ATOM 1326 C ILE A 93 11.108 2.707 0.721 1.00 0.80 C ATOM 1327 O ILE A 93 10.404 1.799 0.283 1.00 1.23 O ATOM 1328 CB ILE A 93 12.833 2.654 -1.173 1.00 0.98 C ATOM 1329 CG1 ILE A 93 12.298 3.864 -1.941 1.00 2.53 C ATOM 1330 CG2 ILE A 93 12.252 1.339 -1.698 1.00 2.03 C ATOM 1331 CD1 ILE A 93 13.361 4.958 -2.052 1.00 3.60 C ATOM 0 H ILE A 93 13.121 0.843 0.839 1.00 0.83 H new ATOM 0 HA ILE A 93 12.919 3.809 0.585 1.00 0.80 H new ATOM 0 HB ILE A 93 13.910 2.618 -1.338 1.00 0.98 H new ATOM 0 HG12 ILE A 93 11.983 3.556 -2.938 1.00 2.53 H new ATOM 0 HG13 ILE A 93 11.416 4.259 -1.436 1.00 2.53 H new ATOM 0 HG21 ILE A 93 12.443 1.259 -2.768 1.00 2.03 H new ATOM 0 HG22 ILE A 93 12.722 0.502 -1.182 1.00 2.03 H new ATOM 0 HG23 ILE A 93 11.177 1.319 -1.518 1.00 2.03 H new ATOM 0 HD11 ILE A 93 12.954 5.806 -2.602 1.00 3.60 H new ATOM 0 HD12 ILE A 93 13.656 5.281 -1.054 1.00 3.60 H new ATOM 0 HD13 ILE A 93 14.231 4.567 -2.579 1.00 3.60 H new ATOM 1343 N THR A 94 10.683 3.657 1.540 1.00 0.55 N ATOM 1344 CA THR A 94 9.304 3.692 1.995 1.00 0.57 C ATOM 1345 C THR A 94 8.449 4.527 1.041 1.00 0.50 C ATOM 1346 O THR A 94 8.974 5.326 0.267 1.00 0.62 O ATOM 1347 CB THR A 94 9.294 4.212 3.434 1.00 0.68 C ATOM 1348 OG1 THR A 94 10.138 5.359 3.395 1.00 0.81 O ATOM 1349 CG2 THR A 94 10.000 3.263 4.405 1.00 0.94 C ATOM 0 H THR A 94 11.270 4.409 1.901 1.00 0.55 H new ATOM 0 HA THR A 94 8.861 2.696 1.991 1.00 0.57 H new ATOM 0 HB THR A 94 8.264 4.362 3.758 1.00 0.68 H new ATOM 0 HG1 THR A 94 10.186 5.760 4.288 1.00 0.81 H new ATOM 0 HG21 THR A 94 9.964 3.680 5.412 1.00 0.94 H new ATOM 0 HG22 THR A 94 9.500 2.294 4.395 1.00 0.94 H new ATOM 0 HG23 THR A 94 11.039 3.138 4.101 1.00 0.94 H new ATOM 1357 N GLY A 95 7.144 4.315 1.128 1.00 0.43 N ATOM 1358 CA GLY A 95 6.210 5.039 0.282 1.00 0.40 C ATOM 1359 C GLY A 95 4.773 4.870 0.781 1.00 0.37 C ATOM 1360 O GLY A 95 4.475 3.932 1.519 1.00 0.43 O ATOM 0 H GLY A 95 6.711 3.652 1.771 1.00 0.43 H new ATOM 0 HA2 GLY A 95 6.472 6.097 0.268 1.00 0.40 H new ATOM 0 HA3 GLY A 95 6.287 4.678 -0.743 1.00 0.40 H new ATOM 1364 N SER A 96 3.921 5.791 0.357 1.00 0.39 N ATOM 1365 CA SER A 96 2.523 5.756 0.751 1.00 0.42 C ATOM 1366 C SER A 96 1.636 6.158 -0.429 1.00 0.38 C ATOM 1367 O SER A 96 2.075 6.882 -1.322 1.00 0.42 O ATOM 1368 CB SER A 96 2.265 6.675 1.947 1.00 0.55 C ATOM 1369 OG SER A 96 3.432 6.855 2.743 1.00 0.75 O ATOM 0 H SER A 96 4.172 6.567 -0.256 1.00 0.39 H new ATOM 0 HA SER A 96 2.277 4.737 1.050 1.00 0.42 H new ATOM 0 HB2 SER A 96 1.916 7.644 1.591 1.00 0.55 H new ATOM 0 HB3 SER A 96 1.468 6.256 2.561 1.00 0.55 H new ATOM 0 HG SER A 96 3.668 7.806 2.767 1.00 0.75 H new ATOM 1375 N VAL A 97 0.404 5.671 -0.395 1.00 0.39 N ATOM 1376 CA VAL A 97 -0.548 5.971 -1.451 1.00 0.37 C ATOM 1377 C VAL A 97 -1.910 6.288 -0.829 1.00 0.39 C ATOM 1378 O VAL A 97 -2.595 5.393 -0.337 1.00 0.41 O ATOM 1379 CB VAL A 97 -0.603 4.814 -2.450 1.00 0.36 C ATOM 1380 CG1 VAL A 97 -1.190 5.271 -3.787 1.00 0.48 C ATOM 1381 CG2 VAL A 97 0.781 4.191 -2.644 1.00 0.52 C ATOM 0 H VAL A 97 0.043 5.071 0.347 1.00 0.39 H new ATOM 0 HA VAL A 97 -0.233 6.852 -2.010 1.00 0.37 H new ATOM 0 HB VAL A 97 -1.261 4.048 -2.039 1.00 0.36 H new ATOM 0 HG11 VAL A 97 -1.218 4.429 -4.479 1.00 0.48 H new ATOM 0 HG12 VAL A 97 -2.201 5.646 -3.631 1.00 0.48 H new ATOM 0 HG13 VAL A 97 -0.570 6.064 -4.205 1.00 0.48 H new ATOM 0 HG21 VAL A 97 0.714 3.371 -3.359 1.00 0.52 H new ATOM 0 HG22 VAL A 97 1.470 4.946 -3.022 1.00 0.52 H new ATOM 0 HG23 VAL A 97 1.146 3.811 -1.690 1.00 0.52 H new ATOM 1391 N THR A 98 -2.261 7.565 -0.870 1.00 0.39 N ATOM 1392 CA THR A 98 -3.528 8.011 -0.317 1.00 0.41 C ATOM 1393 C THR A 98 -4.626 7.947 -1.379 1.00 0.41 C ATOM 1394 O THR A 98 -4.400 8.306 -2.533 1.00 0.43 O ATOM 1395 CB THR A 98 -3.324 9.412 0.263 1.00 0.46 C ATOM 1396 OG1 THR A 98 -4.478 9.625 1.072 1.00 0.50 O ATOM 1397 CG2 THR A 98 -3.410 10.505 -0.804 1.00 0.48 C ATOM 0 H THR A 98 -1.690 8.305 -1.278 1.00 0.39 H new ATOM 0 HA THR A 98 -3.860 7.356 0.488 1.00 0.41 H new ATOM 0 HB THR A 98 -2.354 9.462 0.757 1.00 0.46 H new ATOM 0 HG1 THR A 98 -4.793 8.767 1.424 1.00 0.50 H new ATOM 0 HG21 THR A 98 -3.258 11.479 -0.340 1.00 0.48 H new ATOM 0 HG22 THR A 98 -2.641 10.339 -1.558 1.00 0.48 H new ATOM 0 HG23 THR A 98 -4.392 10.477 -1.275 1.00 0.48 H new ATOM 1405 N PHE A 99 -5.794 7.487 -0.952 1.00 0.40 N ATOM 1406 CA PHE A 99 -6.928 7.371 -1.853 1.00 0.40 C ATOM 1407 C PHE A 99 -8.246 7.547 -1.098 1.00 0.42 C ATOM 1408 O PHE A 99 -8.338 7.223 0.084 1.00 0.41 O ATOM 1409 CB PHE A 99 -6.880 5.964 -2.452 1.00 0.37 C ATOM 1410 CG PHE A 99 -7.274 4.857 -1.473 1.00 0.34 C ATOM 1411 CD1 PHE A 99 -8.568 4.735 -1.068 1.00 1.75 C ATOM 1412 CD2 PHE A 99 -6.332 3.995 -1.006 1.00 1.74 C ATOM 1413 CE1 PHE A 99 -8.933 3.707 -0.159 1.00 1.73 C ATOM 1414 CE2 PHE A 99 -6.698 2.967 -0.097 1.00 1.76 C ATOM 1415 CZ PHE A 99 -7.990 2.845 0.308 1.00 0.34 C ATOM 0 H PHE A 99 -5.979 7.190 0.006 1.00 0.40 H new ATOM 0 HA PHE A 99 -6.875 8.142 -2.622 1.00 0.40 H new ATOM 0 HB2 PHE A 99 -7.545 5.925 -3.315 1.00 0.37 H new ATOM 0 HB3 PHE A 99 -5.871 5.770 -2.817 1.00 0.37 H new ATOM 0 HD1 PHE A 99 -9.317 5.420 -1.438 1.00 1.75 H new ATOM 0 HD2 PHE A 99 -5.305 4.092 -1.326 1.00 1.74 H new ATOM 0 HE1 PHE A 99 -9.960 3.609 0.162 1.00 1.73 H new ATOM 0 HE2 PHE A 99 -5.950 2.282 0.273 1.00 1.76 H new ATOM 0 HZ PHE A 99 -8.268 2.064 1.000 1.00 0.34 H new ATOM 1425 N LYS A 100 -9.236 8.062 -1.814 1.00 0.46 N ATOM 1426 CA LYS A 100 -10.546 8.286 -1.227 1.00 0.49 C ATOM 1427 C LYS A 100 -11.513 7.211 -1.725 1.00 0.46 C ATOM 1428 O LYS A 100 -11.233 6.524 -2.706 1.00 0.46 O ATOM 1429 CB LYS A 100 -11.020 9.715 -1.503 1.00 0.58 C ATOM 1430 CG LYS A 100 -10.203 10.729 -0.699 1.00 0.65 C ATOM 1431 CD LYS A 100 -11.111 11.776 -0.052 1.00 1.61 C ATOM 1432 CE LYS A 100 -11.068 13.093 -0.828 1.00 1.73 C ATOM 1433 NZ LYS A 100 -12.438 13.596 -1.072 1.00 2.78 N ATOM 0 H LYS A 100 -9.157 8.330 -2.795 1.00 0.46 H new ATOM 0 HA LYS A 100 -10.498 8.195 -0.142 1.00 0.49 H new ATOM 0 HB2 LYS A 100 -10.930 9.932 -2.567 1.00 0.58 H new ATOM 0 HB3 LYS A 100 -12.075 9.808 -1.247 1.00 0.58 H new ATOM 0 HG2 LYS A 100 -9.632 10.212 0.072 1.00 0.65 H new ATOM 0 HG3 LYS A 100 -9.483 11.221 -1.353 1.00 0.65 H new ATOM 0 HD2 LYS A 100 -12.135 11.403 -0.017 1.00 1.61 H new ATOM 0 HD3 LYS A 100 -10.799 11.946 0.978 1.00 1.61 H new ATOM 0 HE2 LYS A 100 -10.497 13.833 -0.268 1.00 1.73 H new ATOM 0 HE3 LYS A 100 -10.554 12.946 -1.778 1.00 1.73 H new ATOM 0 HZ1 LYS A 100 -12.390 14.491 -1.600 1.00 2.78 H new ATOM 0 HZ2 LYS A 100 -12.972 12.895 -1.625 1.00 2.78 H new ATOM 0 HZ3 LYS A 100 -12.916 13.756 -0.162 1.00 2.78 H new ATOM 1447 N VAL A 101 -12.633 7.097 -1.025 1.00 0.46 N ATOM 1448 CA VAL A 101 -13.644 6.117 -1.383 1.00 0.46 C ATOM 1449 C VAL A 101 -15.033 6.727 -1.188 1.00 0.52 C ATOM 1450 O VAL A 101 -15.384 7.140 -0.084 1.00 0.54 O ATOM 1451 CB VAL A 101 -13.436 4.832 -0.578 1.00 0.42 C ATOM 1452 CG1 VAL A 101 -14.529 3.808 -0.888 1.00 0.46 C ATOM 1453 CG2 VAL A 101 -12.046 4.245 -0.830 1.00 0.42 C ATOM 0 H VAL A 101 -12.862 7.668 -0.211 1.00 0.46 H new ATOM 0 HA VAL A 101 -13.555 5.844 -2.434 1.00 0.46 H new ATOM 0 HB VAL A 101 -13.505 5.085 0.480 1.00 0.42 H new ATOM 0 HG11 VAL A 101 -14.358 2.904 -0.303 1.00 0.46 H new ATOM 0 HG12 VAL A 101 -15.503 4.226 -0.633 1.00 0.46 H new ATOM 0 HG13 VAL A 101 -14.507 3.562 -1.950 1.00 0.46 H new ATOM 0 HG21 VAL A 101 -11.925 3.333 -0.246 1.00 0.42 H new ATOM 0 HG22 VAL A 101 -11.935 4.015 -1.890 1.00 0.42 H new ATOM 0 HG23 VAL A 101 -11.286 4.969 -0.534 1.00 0.42 H new ATOM 1463 N LYS A 102 -15.786 6.766 -2.278 1.00 0.57 N ATOM 1464 CA LYS A 102 -17.129 7.319 -2.239 1.00 0.64 C ATOM 1465 C LYS A 102 -18.137 6.224 -2.592 1.00 0.67 C ATOM 1466 O LYS A 102 -19.289 6.274 -2.163 1.00 1.08 O ATOM 1467 CB LYS A 102 -17.224 8.556 -3.135 1.00 0.77 C ATOM 1468 CG LYS A 102 -16.165 9.591 -2.755 1.00 0.88 C ATOM 1469 CD LYS A 102 -16.659 10.492 -1.622 1.00 1.51 C ATOM 1470 CE LYS A 102 -15.763 11.721 -1.466 1.00 1.97 C ATOM 1471 NZ LYS A 102 -16.580 12.933 -1.236 1.00 2.49 N ATOM 1472 OXT LYS A 102 -17.879 5.043 -2.369 1.00 0.92 O ATOM 0 H LYS A 102 -15.492 6.424 -3.193 1.00 0.57 H new ATOM 0 HA LYS A 102 -17.371 7.663 -1.233 1.00 0.64 H new ATOM 0 HB2 LYS A 102 -17.095 8.265 -4.178 1.00 0.77 H new ATOM 0 HB3 LYS A 102 -18.217 8.997 -3.047 1.00 0.77 H new ATOM 0 HG2 LYS A 102 -15.250 9.084 -2.448 1.00 0.88 H new ATOM 0 HG3 LYS A 102 -15.917 10.199 -3.625 1.00 0.88 H new ATOM 0 HD2 LYS A 102 -17.683 10.808 -1.824 1.00 1.51 H new ATOM 0 HD3 LYS A 102 -16.677 9.930 -0.688 1.00 1.51 H new ATOM 0 HE2 LYS A 102 -15.077 11.574 -0.632 1.00 1.97 H new ATOM 0 HE3 LYS A 102 -15.154 11.850 -2.361 1.00 1.97 H new ATOM 0 HZ1 LYS A 102 -15.955 13.758 -1.132 1.00 2.49 H new ATOM 0 HZ2 LYS A 102 -17.217 13.081 -2.044 1.00 2.49 H new ATOM 0 HZ3 LYS A 102 -17.142 12.813 -0.369 1.00 2.49 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.925 1.469 -4.832 1.00 0.73 CU