USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 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 75 THR OG1 : rot 180:sc= 0.0794 USER MOD Set 1.2: A 79 TYR OH : rot -9:sc= 1 USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.379 K(o=1,f=-3.4) USER MOD Set 3.2: A 65 THR OG1 : rot -70:sc= 0.622 USER MOD Single : A 1 HIS : no HD1:sc= -1.08! C(o=-1.1!,f=-1.2!) USER MOD Single : A 1 HIS N :NH3+ -113:sc= -1.88! (180deg=-4.96!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.596 USER MOD Single : A 7 SER OG : rot 180:sc= -0.101 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.172 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 28 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.22 F(o=-1.8,f=-1.2) USER MOD Single : A 34 SER OG : rot 150:sc= -4.58! 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 -65:sc= 0.67 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 :FLIP no HD1:sc= -2.62! C(o=-3.3!,f=-2.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -170:sc= 0 (180deg=-0.0846) 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 66 MET CE :methyl -131:sc= -0.0285 (180deg=-0.73) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 36:sc= 0.884 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) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -114:sc= 0.71 USER MOD Single : A 98 THR OG1 : rot 15:sc= 0.0907 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 16.769 6.766 -6.279 1.00 6.66 N ATOM 2 CA HIS A 1 15.956 5.701 -5.716 1.00 5.75 C ATOM 3 C HIS A 1 14.876 6.302 -4.815 1.00 4.16 C ATOM 4 O HIS A 1 14.858 6.055 -3.610 1.00 4.23 O ATOM 5 CB HIS A 1 16.831 4.677 -4.990 1.00 6.75 C ATOM 6 CG HIS A 1 17.431 3.629 -5.897 1.00 8.38 C ATOM 7 ND1 HIS A 1 16.671 2.665 -6.534 1.00 9.45 N ATOM 8 CD2 HIS A 1 18.725 3.407 -6.268 1.00 9.61 C ATOM 9 CE1 HIS A 1 17.481 1.900 -7.252 1.00 11.08 C ATOM 10 NE2 HIS A 1 18.754 2.362 -7.086 1.00 11.12 N ATOM 0 H1 HIS A 1 16.615 6.814 -7.306 1.00 6.66 H new ATOM 0 H2 HIS A 1 16.502 7.673 -5.846 1.00 6.66 H new ATOM 0 H3 HIS A 1 17.773 6.574 -6.088 1.00 6.66 H new ATOM 0 HA HIS A 1 15.452 5.160 -6.517 1.00 5.75 H new ATOM 0 HB2 HIS A 1 17.636 5.202 -4.476 1.00 6.75 H new ATOM 0 HB3 HIS A 1 16.234 4.182 -4.225 1.00 6.75 H new ATOM 0 HD2 HIS A 1 19.581 3.984 -5.950 1.00 9.61 H new ATOM 0 HE1 HIS A 1 17.185 1.059 -7.861 1.00 11.08 H new ATOM 0 HE2 HIS A 1 19.590 1.969 -7.519 1.00 11.12 H new ATOM 20 N PRO A 2 13.977 7.100 -5.450 1.00 3.87 N ATOM 21 CA PRO A 2 12.895 7.739 -4.720 1.00 3.40 C ATOM 22 C PRO A 2 11.801 6.729 -4.367 1.00 2.58 C ATOM 23 O PRO A 2 11.725 6.263 -3.231 1.00 2.54 O ATOM 24 CB PRO A 2 12.405 8.850 -5.634 1.00 4.99 C ATOM 25 CG PRO A 2 12.912 8.501 -7.024 1.00 5.95 C ATOM 26 CD PRO A 2 13.966 7.416 -6.876 1.00 5.37 C ATOM 0 HA PRO A 2 13.217 8.144 -3.761 1.00 3.40 H new ATOM 0 HB2 PRO A 2 11.317 8.916 -5.620 1.00 4.99 H new ATOM 0 HB3 PRO A 2 12.787 9.818 -5.311 1.00 4.99 H new ATOM 0 HG2 PRO A 2 12.093 8.154 -7.653 1.00 5.95 H new ATOM 0 HG3 PRO A 2 13.335 9.381 -7.508 1.00 5.95 H new ATOM 0 HD2 PRO A 2 13.718 6.539 -7.474 1.00 5.37 H new ATOM 0 HD3 PRO A 2 14.943 7.765 -7.212 1.00 5.37 H new ATOM 34 N LYS A 3 10.982 6.421 -5.361 1.00 2.34 N ATOM 35 CA LYS A 3 9.896 5.475 -5.170 1.00 1.71 C ATOM 36 C LYS A 3 10.207 4.186 -5.934 1.00 1.16 C ATOM 37 O LYS A 3 11.093 4.165 -6.787 1.00 1.33 O ATOM 38 CB LYS A 3 8.558 6.110 -5.554 1.00 2.19 C ATOM 39 CG LYS A 3 8.115 7.133 -4.506 1.00 2.78 C ATOM 40 CD LYS A 3 7.247 8.223 -5.136 1.00 3.25 C ATOM 41 CE LYS A 3 8.107 9.241 -5.889 1.00 3.43 C ATOM 42 NZ LYS A 3 7.617 9.408 -7.276 1.00 3.97 N ATOM 0 H LYS A 3 11.048 6.810 -6.302 1.00 2.34 H new ATOM 0 HA LYS A 3 9.805 5.208 -4.117 1.00 1.71 H new ATOM 0 HB2 LYS A 3 8.647 6.595 -6.526 1.00 2.19 H new ATOM 0 HB3 LYS A 3 7.799 5.334 -5.654 1.00 2.19 H new ATOM 0 HG2 LYS A 3 7.557 6.631 -3.716 1.00 2.78 H new ATOM 0 HG3 LYS A 3 8.991 7.585 -4.041 1.00 2.78 H new ATOM 0 HD2 LYS A 3 6.529 7.771 -5.820 1.00 3.25 H new ATOM 0 HD3 LYS A 3 6.673 8.730 -4.360 1.00 3.25 H new ATOM 0 HE2 LYS A 3 8.084 10.200 -5.371 1.00 3.43 H new ATOM 0 HE3 LYS A 3 9.146 8.910 -5.901 1.00 3.43 H new ATOM 0 HZ1 LYS A 3 8.211 10.102 -7.773 1.00 3.97 H new ATOM 0 HZ2 LYS A 3 7.662 8.495 -7.772 1.00 3.97 H new ATOM 0 HZ3 LYS A 3 6.633 9.744 -7.258 1.00 3.97 H new ATOM 56 N LEU A 4 9.460 3.143 -5.600 1.00 0.77 N ATOM 57 CA LEU A 4 9.646 1.854 -6.244 1.00 0.65 C ATOM 58 C LEU A 4 9.546 2.027 -7.761 1.00 0.64 C ATOM 59 O LEU A 4 9.208 3.106 -8.246 1.00 0.67 O ATOM 60 CB LEU A 4 8.665 0.826 -5.677 1.00 0.97 C ATOM 61 CG LEU A 4 7.199 1.009 -6.073 1.00 0.63 C ATOM 62 CD1 LEU A 4 6.843 2.493 -6.188 1.00 0.75 C ATOM 63 CD2 LEU A 4 6.877 0.242 -7.357 1.00 0.54 C ATOM 0 H LEU A 4 8.726 3.165 -4.892 1.00 0.77 H new ATOM 0 HA LEU A 4 10.641 1.463 -6.032 1.00 0.65 H new ATOM 0 HB2 LEU A 4 8.985 -0.166 -5.995 1.00 0.97 H new ATOM 0 HB3 LEU A 4 8.733 0.850 -4.589 1.00 0.97 H new ATOM 0 HG LEU A 4 6.577 0.588 -5.282 1.00 0.63 H new ATOM 0 HD11 LEU A 4 5.795 2.595 -6.471 1.00 0.75 H new ATOM 0 HD12 LEU A 4 7.009 2.982 -5.228 1.00 0.75 H new ATOM 0 HD13 LEU A 4 7.471 2.960 -6.947 1.00 0.75 H new ATOM 0 HD21 LEU A 4 5.828 0.389 -7.616 1.00 0.54 H new ATOM 0 HD22 LEU A 4 7.506 0.610 -8.168 1.00 0.54 H new ATOM 0 HD23 LEU A 4 7.067 -0.820 -7.204 1.00 0.54 H new ATOM 75 N VAL A 5 9.847 0.949 -8.469 1.00 0.63 N ATOM 76 CA VAL A 5 9.796 0.967 -9.921 1.00 0.67 C ATOM 77 C VAL A 5 8.439 1.509 -10.371 1.00 0.60 C ATOM 78 O VAL A 5 8.335 2.659 -10.798 1.00 0.71 O ATOM 79 CB VAL A 5 10.098 -0.427 -10.473 1.00 0.71 C ATOM 80 CG1 VAL A 5 9.832 -0.489 -11.979 1.00 0.82 C ATOM 81 CG2 VAL A 5 11.533 -0.845 -10.152 1.00 0.84 C ATOM 0 H VAL A 5 10.127 0.056 -8.064 1.00 0.63 H new ATOM 0 HA VAL A 5 10.561 1.632 -10.323 1.00 0.67 H new ATOM 0 HB VAL A 5 9.427 -1.134 -9.985 1.00 0.71 H new ATOM 0 HG11 VAL A 5 10.054 -1.491 -12.347 1.00 0.82 H new ATOM 0 HG12 VAL A 5 8.785 -0.255 -12.174 1.00 0.82 H new ATOM 0 HG13 VAL A 5 10.467 0.235 -12.491 1.00 0.82 H new ATOM 0 HG21 VAL A 5 11.721 -1.840 -10.556 1.00 0.84 H new ATOM 0 HG22 VAL A 5 12.228 -0.134 -10.600 1.00 0.84 H new ATOM 0 HG23 VAL A 5 11.675 -0.859 -9.071 1.00 0.84 H new ATOM 91 N SER A 6 7.431 0.656 -10.263 1.00 0.48 N ATOM 92 CA SER A 6 6.083 1.034 -10.655 1.00 0.43 C ATOM 93 C SER A 6 5.060 0.232 -9.848 1.00 0.37 C ATOM 94 O SER A 6 5.345 -0.883 -9.411 1.00 0.36 O ATOM 95 CB SER A 6 5.865 0.820 -12.153 1.00 0.44 C ATOM 96 OG SER A 6 7.026 1.143 -12.915 1.00 0.53 O ATOM 0 H SER A 6 7.520 -0.297 -9.909 1.00 0.48 H new ATOM 0 HA SER A 6 5.950 2.095 -10.445 1.00 0.43 H new ATOM 0 HB2 SER A 6 5.590 -0.219 -12.334 1.00 0.44 H new ATOM 0 HB3 SER A 6 5.029 1.434 -12.489 1.00 0.44 H new ATOM 0 HG SER A 6 6.846 0.991 -13.866 1.00 0.53 H new ATOM 102 N SER A 7 3.890 0.829 -9.676 1.00 0.34 N ATOM 103 CA SER A 7 2.823 0.184 -8.931 1.00 0.30 C ATOM 104 C SER A 7 1.469 0.764 -9.348 1.00 0.32 C ATOM 105 O SER A 7 1.411 1.796 -10.014 1.00 0.36 O ATOM 106 CB SER A 7 3.028 0.347 -7.424 1.00 0.29 C ATOM 107 OG SER A 7 3.061 1.717 -7.034 1.00 0.30 O ATOM 0 H SER A 7 3.658 1.753 -10.040 1.00 0.34 H new ATOM 0 HA SER A 7 2.841 -0.881 -9.160 1.00 0.30 H new ATOM 0 HB2 SER A 7 2.224 -0.162 -6.892 1.00 0.29 H new ATOM 0 HB3 SER A 7 3.960 -0.136 -7.131 1.00 0.29 H new ATOM 0 HG SER A 7 3.192 1.778 -6.065 1.00 0.30 H new ATOM 113 N THR A 8 0.415 0.074 -8.938 1.00 0.31 N ATOM 114 CA THR A 8 -0.934 0.507 -9.260 1.00 0.36 C ATOM 115 C THR A 8 -1.846 0.362 -8.041 1.00 0.38 C ATOM 116 O THR A 8 -2.856 -0.339 -8.097 1.00 0.41 O ATOM 117 CB THR A 8 -1.410 -0.293 -10.475 1.00 0.38 C ATOM 118 OG1 THR A 8 -0.257 -0.376 -11.309 1.00 0.73 O ATOM 119 CG2 THR A 8 -2.427 0.475 -11.320 1.00 0.92 C ATOM 0 H THR A 8 0.468 -0.782 -8.386 1.00 0.31 H new ATOM 0 HA THR A 8 -0.958 1.565 -9.520 1.00 0.36 H new ATOM 0 HB THR A 8 -1.852 -1.232 -10.141 1.00 0.38 H new ATOM 0 HG1 THR A 8 -0.476 -0.881 -12.120 1.00 0.73 H new ATOM 0 HG21 THR A 8 -2.732 -0.138 -12.169 1.00 0.92 H new ATOM 0 HG22 THR A 8 -3.300 0.712 -10.712 1.00 0.92 H new ATOM 0 HG23 THR A 8 -1.975 1.398 -11.683 1.00 0.92 H new ATOM 127 N PRO A 9 -1.448 1.052 -6.939 1.00 0.38 N ATOM 128 CA PRO A 9 -2.219 1.007 -5.708 1.00 0.42 C ATOM 129 C PRO A 9 -3.488 1.855 -5.825 1.00 0.50 C ATOM 130 O PRO A 9 -4.598 1.328 -5.760 1.00 0.54 O ATOM 131 CB PRO A 9 -1.269 1.504 -4.631 1.00 0.41 C ATOM 132 CG PRO A 9 -0.161 2.245 -5.362 1.00 0.38 C ATOM 133 CD PRO A 9 -0.259 1.892 -6.837 1.00 0.36 C ATOM 0 HA PRO A 9 -2.578 0.005 -5.472 1.00 0.42 H new ATOM 0 HB2 PRO A 9 -1.783 2.162 -3.930 1.00 0.41 H new ATOM 0 HB3 PRO A 9 -0.867 0.673 -4.051 1.00 0.41 H new ATOM 0 HG2 PRO A 9 -0.263 3.321 -5.219 1.00 0.38 H new ATOM 0 HG3 PRO A 9 0.814 1.962 -4.966 1.00 0.38 H new ATOM 0 HD2 PRO A 9 -0.352 2.787 -7.453 1.00 0.36 H new ATOM 0 HD3 PRO A 9 0.631 1.362 -7.177 1.00 0.36 H new ATOM 141 N ALA A 10 -3.280 3.152 -5.994 1.00 0.58 N ATOM 142 CA ALA A 10 -4.394 4.078 -6.119 1.00 0.67 C ATOM 143 C ALA A 10 -3.892 5.506 -5.896 1.00 0.57 C ATOM 144 O ALA A 10 -4.521 6.285 -5.181 1.00 0.55 O ATOM 145 CB ALA A 10 -5.496 3.686 -5.134 1.00 0.73 C ATOM 0 H ALA A 10 -2.358 3.584 -6.047 1.00 0.58 H new ATOM 0 HA ALA A 10 -4.821 4.032 -7.121 1.00 0.67 H new ATOM 0 HB1 ALA A 10 -6.331 4.380 -5.227 1.00 0.73 H new ATOM 0 HB2 ALA A 10 -5.838 2.675 -5.354 1.00 0.73 H new ATOM 0 HB3 ALA A 10 -5.105 3.723 -4.117 1.00 0.73 H new ATOM 151 N GLU A 11 -2.763 5.807 -6.520 1.00 0.59 N ATOM 152 CA GLU A 11 -2.169 7.127 -6.398 1.00 0.62 C ATOM 153 C GLU A 11 -3.233 8.208 -6.604 1.00 0.70 C ATOM 154 O GLU A 11 -3.690 8.428 -7.724 1.00 0.91 O ATOM 155 CB GLU A 11 -1.012 7.301 -7.384 1.00 0.85 C ATOM 156 CG GLU A 11 0.325 7.403 -6.648 1.00 0.92 C ATOM 157 CD GLU A 11 1.395 6.551 -7.333 1.00 1.47 C ATOM 158 OE1 GLU A 11 1.115 5.295 -7.425 1.00 2.24 O ATOM 159 OE2 GLU A 11 2.436 7.080 -7.749 1.00 2.70 O ATOM 0 H GLU A 11 -2.244 5.159 -7.112 1.00 0.59 H new ATOM 0 HA GLU A 11 -1.763 7.231 -5.392 1.00 0.62 H new ATOM 0 HB2 GLU A 11 -0.988 6.458 -8.074 1.00 0.85 H new ATOM 0 HB3 GLU A 11 -1.171 8.198 -7.982 1.00 0.85 H new ATOM 0 HG2 GLU A 11 0.649 8.443 -6.617 1.00 0.92 H new ATOM 0 HG3 GLU A 11 0.201 7.077 -5.615 1.00 0.92 H new ATOM 166 N GLY A 12 -3.594 8.853 -5.505 1.00 0.60 N ATOM 167 CA GLY A 12 -4.595 9.906 -5.550 1.00 0.71 C ATOM 168 C GLY A 12 -5.687 9.580 -6.571 1.00 1.02 C ATOM 169 O GLY A 12 -5.854 10.295 -7.558 1.00 1.52 O ATOM 0 H GLY A 12 -3.212 8.667 -4.578 1.00 0.60 H new ATOM 0 HA2 GLY A 12 -5.040 10.032 -4.563 1.00 0.71 H new ATOM 0 HA3 GLY A 12 -4.121 10.853 -5.809 1.00 0.71 H new ATOM 173 N SER A 13 -6.404 8.500 -6.297 1.00 0.93 N ATOM 174 CA SER A 13 -7.476 8.070 -7.180 1.00 1.19 C ATOM 175 C SER A 13 -8.779 7.928 -6.389 1.00 0.85 C ATOM 176 O SER A 13 -8.809 7.273 -5.348 1.00 0.91 O ATOM 177 CB SER A 13 -7.127 6.750 -7.869 1.00 1.79 C ATOM 178 OG SER A 13 -6.680 6.949 -9.207 1.00 2.51 O ATOM 0 H SER A 13 -6.264 7.910 -5.477 1.00 0.93 H new ATOM 0 HA SER A 13 -7.607 8.827 -7.953 1.00 1.19 H new ATOM 0 HB2 SER A 13 -6.351 6.238 -7.300 1.00 1.79 H new ATOM 0 HB3 SER A 13 -8.002 6.100 -7.872 1.00 1.79 H new ATOM 0 HG SER A 13 -6.465 6.083 -9.612 1.00 2.51 H new ATOM 184 N GLU A 14 -9.823 8.551 -6.913 1.00 0.83 N ATOM 185 CA GLU A 14 -11.125 8.502 -6.270 1.00 1.05 C ATOM 186 C GLU A 14 -12.030 7.493 -6.979 1.00 1.40 C ATOM 187 O GLU A 14 -12.052 7.428 -8.207 1.00 1.73 O ATOM 188 CB GLU A 14 -11.772 9.888 -6.235 1.00 1.55 C ATOM 189 CG GLU A 14 -10.744 10.965 -5.881 1.00 1.74 C ATOM 190 CD GLU A 14 -11.240 12.353 -6.290 1.00 2.43 C ATOM 191 OE1 GLU A 14 -10.970 12.692 -7.505 1.00 3.77 O ATOM 192 OE2 GLU A 14 -11.851 13.059 -5.474 1.00 2.31 O ATOM 0 H GLU A 14 -9.794 9.093 -7.777 1.00 0.83 H new ATOM 0 HA GLU A 14 -10.987 8.175 -5.239 1.00 1.05 H new ATOM 0 HB2 GLU A 14 -12.217 10.110 -7.205 1.00 1.55 H new ATOM 0 HB3 GLU A 14 -12.580 9.897 -5.504 1.00 1.55 H new ATOM 0 HG2 GLU A 14 -10.547 10.947 -4.809 1.00 1.74 H new ATOM 0 HG3 GLU A 14 -9.800 10.750 -6.382 1.00 1.74 H new ATOM 199 N GLY A 15 -12.756 6.729 -6.175 1.00 1.45 N ATOM 200 CA GLY A 15 -13.660 5.726 -6.711 1.00 1.97 C ATOM 201 C GLY A 15 -14.707 5.321 -5.670 1.00 1.12 C ATOM 202 O GLY A 15 -15.524 6.142 -5.254 1.00 0.64 O ATOM 0 H GLY A 15 -12.736 6.785 -5.157 1.00 1.45 H new ATOM 0 HA2 GLY A 15 -14.157 6.116 -7.599 1.00 1.97 H new ATOM 0 HA3 GLY A 15 -13.093 4.849 -7.022 1.00 1.97 H new ATOM 206 N ALA A 16 -14.649 4.056 -5.281 1.00 1.58 N ATOM 207 CA ALA A 16 -15.582 3.533 -4.299 1.00 1.57 C ATOM 208 C ALA A 16 -15.361 2.026 -4.145 1.00 2.65 C ATOM 209 O ALA A 16 -15.926 1.233 -4.897 1.00 4.49 O ATOM 210 CB ALA A 16 -17.012 3.872 -4.720 1.00 2.08 C ATOM 0 H ALA A 16 -13.970 3.378 -5.628 1.00 1.58 H new ATOM 0 HA ALA A 16 -15.412 3.993 -3.326 1.00 1.57 H new ATOM 0 HB1 ALA A 16 -17.711 3.479 -3.982 1.00 2.08 H new ATOM 0 HB2 ALA A 16 -17.125 4.954 -4.787 1.00 2.08 H new ATOM 0 HB3 ALA A 16 -17.221 3.425 -5.692 1.00 2.08 H new ATOM 216 N ALA A 17 -14.540 1.677 -3.166 1.00 1.59 N ATOM 217 CA ALA A 17 -14.238 0.280 -2.904 1.00 2.42 C ATOM 218 C ALA A 17 -13.525 -0.320 -4.118 1.00 1.93 C ATOM 219 O ALA A 17 -14.166 -0.892 -4.998 1.00 1.71 O ATOM 220 CB ALA A 17 -15.530 -0.465 -2.560 1.00 3.25 C ATOM 0 H ALA A 17 -14.074 2.338 -2.544 1.00 1.59 H new ATOM 0 HA ALA A 17 -13.569 0.186 -2.049 1.00 2.42 H new ATOM 0 HB1 ALA A 17 -15.304 -1.513 -2.363 1.00 3.25 H new ATOM 0 HB2 ALA A 17 -15.982 -0.019 -1.674 1.00 3.25 H new ATOM 0 HB3 ALA A 17 -16.225 -0.394 -3.397 1.00 3.25 H new ATOM 226 N PRO A 18 -12.175 -0.163 -4.127 1.00 1.84 N ATOM 227 CA PRO A 18 -11.368 -0.682 -5.218 1.00 1.47 C ATOM 228 C PRO A 18 -11.225 -2.202 -5.119 1.00 1.20 C ATOM 229 O PRO A 18 -11.691 -2.812 -4.158 1.00 1.75 O ATOM 230 CB PRO A 18 -10.039 0.048 -5.105 1.00 1.72 C ATOM 231 CG PRO A 18 -9.984 0.600 -3.691 1.00 2.11 C ATOM 232 CD PRO A 18 -11.383 0.510 -3.101 1.00 2.20 C ATOM 0 HA PRO A 18 -11.820 -0.511 -6.195 1.00 1.47 H new ATOM 0 HB2 PRO A 18 -9.205 -0.628 -5.293 1.00 1.72 H new ATOM 0 HB3 PRO A 18 -9.971 0.850 -5.840 1.00 1.72 H new ATOM 0 HG2 PRO A 18 -9.277 0.031 -3.086 1.00 2.11 H new ATOM 0 HG3 PRO A 18 -9.638 1.634 -3.698 1.00 2.11 H new ATOM 0 HD2 PRO A 18 -11.384 -0.053 -2.168 1.00 2.20 H new ATOM 0 HD3 PRO A 18 -11.783 1.499 -2.877 1.00 2.20 H new ATOM 240 N ALA A 19 -10.581 -2.770 -6.127 1.00 0.65 N ATOM 241 CA ALA A 19 -10.371 -4.208 -6.166 1.00 0.65 C ATOM 242 C ALA A 19 -9.177 -4.569 -5.280 1.00 0.56 C ATOM 243 O ALA A 19 -9.353 -5.086 -4.177 1.00 0.57 O ATOM 244 CB ALA A 19 -10.178 -4.656 -7.616 1.00 0.92 C ATOM 0 H ALA A 19 -10.197 -2.261 -6.923 1.00 0.65 H new ATOM 0 HA ALA A 19 -11.242 -4.734 -5.775 1.00 0.65 H new ATOM 0 HB1 ALA A 19 -10.020 -5.734 -7.646 1.00 0.92 H new ATOM 0 HB2 ALA A 19 -11.065 -4.403 -8.196 1.00 0.92 H new ATOM 0 HB3 ALA A 19 -9.310 -4.151 -8.041 1.00 0.92 H new ATOM 250 N LYS A 20 -7.990 -4.283 -5.795 1.00 0.51 N ATOM 251 CA LYS A 20 -6.769 -4.572 -5.064 1.00 0.47 C ATOM 252 C LYS A 20 -5.655 -3.644 -5.554 1.00 0.46 C ATOM 253 O LYS A 20 -5.725 -3.115 -6.662 1.00 0.52 O ATOM 254 CB LYS A 20 -6.420 -6.058 -5.168 1.00 0.48 C ATOM 255 CG LYS A 20 -6.518 -6.544 -6.616 1.00 0.62 C ATOM 256 CD LYS A 20 -5.261 -6.173 -7.405 1.00 2.12 C ATOM 257 CE LYS A 20 -5.624 -5.504 -8.732 1.00 2.97 C ATOM 258 NZ LYS A 20 -5.593 -6.491 -9.835 1.00 3.34 N ATOM 0 H LYS A 20 -7.848 -3.854 -6.710 1.00 0.51 H new ATOM 0 HA LYS A 20 -6.906 -4.374 -4.001 1.00 0.47 H new ATOM 0 HB2 LYS A 20 -5.411 -6.225 -4.792 1.00 0.48 H new ATOM 0 HB3 LYS A 20 -7.095 -6.639 -4.539 1.00 0.48 H new ATOM 0 HG2 LYS A 20 -6.656 -7.625 -6.632 1.00 0.62 H new ATOM 0 HG3 LYS A 20 -7.394 -6.104 -7.093 1.00 0.62 H new ATOM 0 HD2 LYS A 20 -4.641 -5.501 -6.812 1.00 2.12 H new ATOM 0 HD3 LYS A 20 -4.669 -7.068 -7.595 1.00 2.12 H new ATOM 0 HE2 LYS A 20 -6.616 -5.059 -8.662 1.00 2.97 H new ATOM 0 HE3 LYS A 20 -4.925 -4.694 -8.941 1.00 2.97 H new ATOM 0 HZ1 LYS A 20 -5.842 -6.021 -10.729 1.00 3.34 H new ATOM 0 HZ2 LYS A 20 -4.638 -6.897 -9.911 1.00 3.34 H new ATOM 0 HZ3 LYS A 20 -6.277 -7.250 -9.641 1.00 3.34 H new ATOM 272 N ILE A 21 -4.653 -3.473 -4.703 1.00 0.44 N ATOM 273 CA ILE A 21 -3.528 -2.617 -5.034 1.00 0.44 C ATOM 274 C ILE A 21 -2.462 -3.441 -5.759 1.00 0.40 C ATOM 275 O ILE A 21 -2.235 -4.603 -5.421 1.00 0.39 O ATOM 276 CB ILE A 21 -3.009 -1.905 -3.783 1.00 0.49 C ATOM 277 CG1 ILE A 21 -3.749 -0.584 -3.558 1.00 0.54 C ATOM 278 CG2 ILE A 21 -1.493 -1.709 -3.853 1.00 0.48 C ATOM 279 CD1 ILE A 21 -4.552 -0.622 -2.257 1.00 0.61 C ATOM 0 H ILE A 21 -4.598 -3.913 -3.785 1.00 0.44 H new ATOM 0 HA ILE A 21 -3.840 -1.826 -5.716 1.00 0.44 H new ATOM 0 HB ILE A 21 -3.212 -2.539 -2.920 1.00 0.49 H new ATOM 0 HG12 ILE A 21 -3.033 0.237 -3.524 1.00 0.54 H new ATOM 0 HG13 ILE A 21 -4.417 -0.390 -4.397 1.00 0.54 H new ATOM 0 HG21 ILE A 21 -1.150 -1.201 -2.952 1.00 0.48 H new ATOM 0 HG22 ILE A 21 -1.004 -2.680 -3.931 1.00 0.48 H new ATOM 0 HG23 ILE A 21 -1.244 -1.106 -4.726 1.00 0.48 H new ATOM 0 HD11 ILE A 21 -5.068 0.328 -2.120 1.00 0.61 H new ATOM 0 HD12 ILE A 21 -5.283 -1.429 -2.304 1.00 0.61 H new ATOM 0 HD13 ILE A 21 -3.877 -0.792 -1.418 1.00 0.61 H new ATOM 291 N GLU A 22 -1.837 -2.810 -6.741 1.00 0.40 N ATOM 292 CA GLU A 22 -0.800 -3.471 -7.516 1.00 0.38 C ATOM 293 C GLU A 22 0.564 -2.846 -7.219 1.00 0.34 C ATOM 294 O GLU A 22 0.654 -1.659 -6.911 1.00 0.31 O ATOM 295 CB GLU A 22 -1.115 -3.417 -9.012 1.00 0.40 C ATOM 296 CG GLU A 22 -0.897 -4.781 -9.669 1.00 0.52 C ATOM 297 CD GLU A 22 -0.993 -4.678 -11.192 1.00 0.96 C ATOM 298 OE1 GLU A 22 -0.529 -3.688 -11.777 1.00 1.69 O ATOM 299 OE2 GLU A 22 -1.575 -5.674 -11.769 1.00 1.64 O ATOM 0 H GLU A 22 -2.028 -1.847 -7.019 1.00 0.40 H new ATOM 0 HA GLU A 22 -0.768 -4.520 -7.223 1.00 0.38 H new ATOM 0 HB2 GLU A 22 -2.148 -3.100 -9.158 1.00 0.40 H new ATOM 0 HB3 GLU A 22 -0.482 -2.672 -9.494 1.00 0.40 H new ATOM 0 HG2 GLU A 22 0.081 -5.171 -9.388 1.00 0.52 H new ATOM 0 HG3 GLU A 22 -1.640 -5.489 -9.301 1.00 0.52 H new ATOM 306 N LEU A 23 1.594 -3.673 -7.324 1.00 0.34 N ATOM 307 CA LEU A 23 2.950 -3.216 -7.071 1.00 0.34 C ATOM 308 C LEU A 23 3.922 -4.004 -7.953 1.00 0.36 C ATOM 309 O LEU A 23 3.715 -5.191 -8.204 1.00 0.39 O ATOM 310 CB LEU A 23 3.272 -3.295 -5.577 1.00 0.38 C ATOM 311 CG LEU A 23 2.333 -2.525 -4.647 1.00 0.38 C ATOM 312 CD1 LEU A 23 2.352 -3.116 -3.237 1.00 0.46 C ATOM 313 CD2 LEU A 23 2.662 -1.032 -4.648 1.00 0.35 C ATOM 0 H LEU A 23 1.517 -4.657 -7.581 1.00 0.34 H new ATOM 0 HA LEU A 23 3.055 -2.165 -7.341 1.00 0.34 H new ATOM 0 HB2 LEU A 23 3.267 -4.344 -5.279 1.00 0.38 H new ATOM 0 HB3 LEU A 23 4.286 -2.926 -5.424 1.00 0.38 H new ATOM 0 HG LEU A 23 1.316 -2.630 -5.026 1.00 0.38 H new ATOM 0 HD11 LEU A 23 1.676 -2.550 -2.596 1.00 0.46 H new ATOM 0 HD12 LEU A 23 2.030 -4.157 -3.274 1.00 0.46 H new ATOM 0 HD13 LEU A 23 3.363 -3.063 -2.834 1.00 0.46 H new ATOM 0 HD21 LEU A 23 1.979 -0.509 -3.979 1.00 0.35 H new ATOM 0 HD22 LEU A 23 3.687 -0.885 -4.308 1.00 0.35 H new ATOM 0 HD23 LEU A 23 2.554 -0.636 -5.658 1.00 0.35 H new ATOM 325 N HIS A 24 4.961 -3.313 -8.397 1.00 0.38 N ATOM 326 CA HIS A 24 5.965 -3.933 -9.244 1.00 0.43 C ATOM 327 C HIS A 24 7.361 -3.518 -8.775 1.00 0.50 C ATOM 328 O HIS A 24 7.540 -2.425 -8.241 1.00 0.47 O ATOM 329 CB HIS A 24 5.713 -3.603 -10.717 1.00 0.44 C ATOM 330 CG HIS A 24 4.602 -4.411 -11.345 1.00 0.43 C ATOM 331 ND1 HIS A 24 4.806 -5.662 -11.901 1.00 0.51 N ATOM 332 CD2 HIS A 24 3.276 -4.133 -11.500 1.00 0.48 C ATOM 333 CE1 HIS A 24 3.648 -6.108 -12.366 1.00 0.53 C ATOM 334 NE2 HIS A 24 2.702 -5.158 -12.117 1.00 0.51 N ATOM 0 H HIS A 24 5.129 -2.329 -8.186 1.00 0.38 H new ATOM 0 HA HIS A 24 5.898 -5.017 -9.158 1.00 0.43 H new ATOM 0 HB2 HIS A 24 5.473 -2.543 -10.806 1.00 0.44 H new ATOM 0 HB3 HIS A 24 6.632 -3.770 -11.279 1.00 0.44 H new ATOM 0 HD1 HIS A 24 5.697 -6.157 -11.945 1.00 0.51 H new ATOM 0 HD2 HIS A 24 2.778 -3.231 -11.176 1.00 0.48 H new ATOM 0 HE1 HIS A 24 3.483 -7.056 -12.856 1.00 0.53 H new ATOM 342 N PHE A 25 8.313 -4.413 -8.990 1.00 0.65 N ATOM 343 CA PHE A 25 9.687 -4.154 -8.595 1.00 0.76 C ATOM 344 C PHE A 25 10.667 -4.938 -9.471 1.00 0.93 C ATOM 345 O PHE A 25 10.625 -6.167 -9.508 1.00 1.14 O ATOM 346 CB PHE A 25 9.832 -4.620 -7.145 1.00 0.81 C ATOM 347 CG PHE A 25 9.405 -3.576 -6.110 1.00 0.70 C ATOM 348 CD1 PHE A 25 8.092 -3.434 -5.790 1.00 1.83 C ATOM 349 CD2 PHE A 25 10.340 -2.792 -5.512 1.00 1.87 C ATOM 350 CE1 PHE A 25 7.696 -2.466 -4.830 1.00 1.78 C ATOM 351 CE2 PHE A 25 9.945 -1.823 -4.551 1.00 2.11 C ATOM 352 CZ PHE A 25 8.632 -1.680 -4.231 1.00 1.11 C ATOM 0 H PHE A 25 8.160 -5.319 -9.433 1.00 0.65 H new ATOM 0 HA PHE A 25 9.912 -3.093 -8.705 1.00 0.76 H new ATOM 0 HB2 PHE A 25 9.237 -5.522 -7.003 1.00 0.81 H new ATOM 0 HB3 PHE A 25 10.872 -4.892 -6.964 1.00 0.81 H new ATOM 0 HD1 PHE A 25 7.350 -4.058 -6.266 1.00 1.83 H new ATOM 0 HD2 PHE A 25 11.383 -2.905 -5.767 1.00 1.87 H new ATOM 0 HE1 PHE A 25 6.653 -2.353 -4.575 1.00 1.78 H new ATOM 0 HE2 PHE A 25 10.688 -1.200 -4.075 1.00 2.11 H new ATOM 0 HZ PHE A 25 8.331 -0.943 -3.501 1.00 1.11 H new ATOM 362 N SER A 26 11.525 -4.196 -10.153 1.00 0.99 N ATOM 363 CA SER A 26 12.513 -4.806 -11.026 1.00 1.17 C ATOM 364 C SER A 26 13.573 -5.529 -10.192 1.00 1.41 C ATOM 365 O SER A 26 14.370 -6.300 -10.726 1.00 1.63 O ATOM 366 CB SER A 26 13.171 -3.761 -11.930 1.00 1.40 C ATOM 367 OG SER A 26 12.396 -3.501 -13.097 1.00 1.55 O ATOM 0 H SER A 26 11.557 -3.177 -10.119 1.00 0.99 H new ATOM 0 HA SER A 26 12.005 -5.530 -11.663 1.00 1.17 H new ATOM 0 HB2 SER A 26 13.309 -2.835 -11.372 1.00 1.40 H new ATOM 0 HB3 SER A 26 14.162 -4.107 -12.223 1.00 1.40 H new ATOM 0 HG SER A 26 12.849 -2.828 -13.647 1.00 1.55 H new ATOM 373 N GLU A 27 13.549 -5.255 -8.896 1.00 1.45 N ATOM 374 CA GLU A 27 14.497 -5.868 -7.983 1.00 1.81 C ATOM 375 C GLU A 27 13.892 -5.978 -6.583 1.00 1.79 C ATOM 376 O GLU A 27 14.512 -5.575 -5.601 1.00 2.34 O ATOM 377 CB GLU A 27 15.813 -5.088 -7.952 1.00 2.03 C ATOM 378 CG GLU A 27 15.635 -3.744 -7.242 1.00 2.83 C ATOM 379 CD GLU A 27 16.062 -2.586 -8.147 1.00 3.17 C ATOM 380 OE1 GLU A 27 17.082 -2.759 -8.848 1.00 3.32 O ATOM 381 OE2 GLU A 27 15.358 -1.554 -8.118 1.00 4.27 O ATOM 0 H GLU A 27 12.887 -4.616 -8.457 1.00 1.45 H new ATOM 0 HA GLU A 27 14.717 -6.873 -8.342 1.00 1.81 H new ATOM 0 HB2 GLU A 27 16.576 -5.675 -7.441 1.00 2.03 H new ATOM 0 HB3 GLU A 27 16.166 -4.922 -8.970 1.00 2.03 H new ATOM 0 HG2 GLU A 27 14.592 -3.618 -6.951 1.00 2.83 H new ATOM 0 HG3 GLU A 27 16.225 -3.731 -6.326 1.00 2.83 H new ATOM 388 N ASN A 28 12.686 -6.526 -6.535 1.00 2.03 N ATOM 389 CA ASN A 28 11.989 -6.694 -5.271 1.00 2.48 C ATOM 390 C ASN A 28 12.933 -7.338 -4.255 1.00 1.90 C ATOM 391 O ASN A 28 13.553 -6.644 -3.451 1.00 2.36 O ATOM 392 CB ASN A 28 10.771 -7.606 -5.431 1.00 3.73 C ATOM 393 CG ASN A 28 10.241 -8.056 -4.068 1.00 3.98 C ATOM 394 OD1 ASN A 28 10.057 -7.269 -3.154 1.00 4.74 O ATOM 395 ND2 ASN A 28 10.006 -9.362 -3.983 1.00 3.56 N ATOM 0 H ASN A 28 12.174 -6.859 -7.352 1.00 2.03 H new ATOM 0 HA ASN A 28 11.661 -5.711 -4.933 1.00 2.48 H new ATOM 0 HB2 ASN A 28 9.987 -7.079 -5.974 1.00 3.73 H new ATOM 0 HB3 ASN A 28 11.041 -8.478 -6.026 1.00 3.73 H new ATOM 0 HD21 ASN A 28 9.650 -9.761 -3.114 1.00 3.56 H new ATOM 0 HD22 ASN A 28 10.182 -9.965 -4.787 1.00 3.56 H new ATOM 402 N LEU A 29 13.012 -8.659 -4.323 1.00 1.78 N ATOM 403 CA LEU A 29 13.871 -9.405 -3.419 1.00 2.67 C ATOM 404 C LEU A 29 13.799 -8.782 -2.024 1.00 2.29 C ATOM 405 O LEU A 29 14.704 -8.054 -1.618 1.00 3.23 O ATOM 406 CB LEU A 29 15.291 -9.496 -3.980 1.00 4.10 C ATOM 407 CG LEU A 29 16.394 -9.807 -2.967 1.00 5.54 C ATOM 408 CD1 LEU A 29 17.003 -11.186 -3.226 1.00 6.45 C ATOM 409 CD2 LEU A 29 17.455 -8.705 -2.957 1.00 6.19 C ATOM 0 H LEU A 29 12.495 -9.232 -4.990 1.00 1.78 H new ATOM 0 HA LEU A 29 13.524 -10.434 -3.327 1.00 2.67 H new ATOM 0 HB2 LEU A 29 15.307 -10.265 -4.752 1.00 4.10 H new ATOM 0 HB3 LEU A 29 15.529 -8.551 -4.467 1.00 4.10 H new ATOM 0 HG LEU A 29 15.948 -9.834 -1.973 1.00 5.54 H new ATOM 0 HD11 LEU A 29 17.785 -11.382 -2.492 1.00 6.45 H new ATOM 0 HD12 LEU A 29 16.228 -11.948 -3.143 1.00 6.45 H new ATOM 0 HD13 LEU A 29 17.431 -11.212 -4.228 1.00 6.45 H new ATOM 0 HD21 LEU A 29 18.228 -8.950 -2.228 1.00 6.19 H new ATOM 0 HD22 LEU A 29 17.903 -8.622 -3.947 1.00 6.19 H new ATOM 0 HD23 LEU A 29 16.991 -7.756 -2.688 1.00 6.19 H new ATOM 421 N VAL A 30 12.715 -9.090 -1.328 1.00 1.94 N ATOM 422 CA VAL A 30 12.513 -8.568 0.013 1.00 2.29 C ATOM 423 C VAL A 30 13.713 -8.941 0.886 1.00 2.31 C ATOM 424 O VAL A 30 14.710 -8.221 0.917 1.00 3.18 O ATOM 425 CB VAL A 30 11.183 -9.074 0.576 1.00 3.50 C ATOM 426 CG1 VAL A 30 11.150 -8.948 2.101 1.00 3.66 C ATOM 427 CG2 VAL A 30 10.002 -8.338 -0.060 1.00 5.26 C ATOM 0 H VAL A 30 11.967 -9.695 -1.667 1.00 1.94 H new ATOM 0 HA VAL A 30 12.450 -7.480 -0.005 1.00 2.29 H new ATOM 0 HB VAL A 30 11.094 -10.131 0.324 1.00 3.50 H new ATOM 0 HG11 VAL A 30 10.194 -9.314 2.476 1.00 3.66 H new ATOM 0 HG12 VAL A 30 11.959 -9.538 2.532 1.00 3.66 H new ATOM 0 HG13 VAL A 30 11.273 -7.902 2.382 1.00 3.66 H new ATOM 0 HG21 VAL A 30 9.069 -8.717 0.358 1.00 5.26 H new ATOM 0 HG22 VAL A 30 10.085 -7.271 0.146 1.00 5.26 H new ATOM 0 HG23 VAL A 30 10.009 -8.501 -1.138 1.00 5.26 H new ATOM 437 N THR A 31 13.577 -10.065 1.574 1.00 2.43 N ATOM 438 CA THR A 31 14.638 -10.541 2.445 1.00 3.62 C ATOM 439 C THR A 31 15.226 -9.382 3.252 1.00 3.60 C ATOM 440 O THR A 31 16.445 -9.245 3.350 1.00 4.89 O ATOM 441 CB THR A 31 15.671 -11.265 1.579 1.00 4.80 C ATOM 442 OG1 THR A 31 14.894 -11.893 0.563 1.00 5.04 O ATOM 443 CG2 THR A 31 16.336 -12.432 2.314 1.00 5.06 C ATOM 0 H THR A 31 12.749 -10.660 1.546 1.00 2.43 H new ATOM 0 HA THR A 31 14.258 -11.248 3.182 1.00 3.62 H new ATOM 0 HB THR A 31 16.434 -10.557 1.256 1.00 4.80 H new ATOM 0 HG1 THR A 31 15.486 -12.384 -0.045 1.00 5.04 H new ATOM 0 HG21 THR A 31 17.060 -12.912 1.655 1.00 5.06 H new ATOM 0 HG22 THR A 31 16.845 -12.059 3.203 1.00 5.06 H new ATOM 0 HG23 THR A 31 15.577 -13.157 2.608 1.00 5.06 H new ATOM 451 N GLN A 32 14.333 -8.579 3.811 1.00 2.61 N ATOM 452 CA GLN A 32 14.748 -7.436 4.607 1.00 2.84 C ATOM 453 C GLN A 32 13.528 -6.635 5.063 1.00 2.32 C ATOM 454 O GLN A 32 13.387 -5.463 4.718 1.00 3.55 O ATOM 455 CB GLN A 32 15.725 -6.553 3.829 1.00 3.21 C ATOM 456 CG GLN A 32 16.942 -6.196 4.685 1.00 4.35 C ATOM 457 CD GLN A 32 17.967 -7.333 4.683 1.00 5.08 C ATOM 458 OE1 GLN A 32 17.767 -8.242 5.632 1.00 5.67 O flip ATOM 459 NE2 GLN A 32 18.878 -7.380 3.873 1.00 5.54 N flip ATOM 0 H GLN A 32 13.323 -8.697 3.729 1.00 2.61 H new ATOM 0 HA GLN A 32 15.267 -7.803 5.492 1.00 2.84 H new ATOM 0 HB2 GLN A 32 16.050 -7.071 2.927 1.00 3.21 H new ATOM 0 HB3 GLN A 32 15.221 -5.641 3.509 1.00 3.21 H new ATOM 0 HG2 GLN A 32 17.404 -5.285 4.305 1.00 4.35 H new ATOM 0 HG3 GLN A 32 16.624 -5.990 5.707 1.00 4.35 H new ATOM 0 HE21 GLN A 32 18.973 -6.647 3.170 1.00 5.54 H new ATOM 0 HE22 GLN A 32 19.544 -8.152 3.899 1.00 5.54 H new ATOM 468 N PHE A 33 12.677 -7.300 5.831 1.00 2.06 N ATOM 469 CA PHE A 33 11.473 -6.664 6.339 1.00 1.93 C ATOM 470 C PHE A 33 10.893 -5.689 5.310 1.00 1.40 C ATOM 471 O PHE A 33 10.861 -4.482 5.543 1.00 1.50 O ATOM 472 CB PHE A 33 11.872 -5.884 7.593 1.00 2.91 C ATOM 473 CG PHE A 33 12.001 -6.750 8.848 1.00 3.61 C ATOM 474 CD1 PHE A 33 13.165 -7.406 9.104 1.00 3.63 C ATOM 475 CD2 PHE A 33 10.953 -6.862 9.707 1.00 4.86 C ATOM 476 CE1 PHE A 33 13.284 -8.209 10.269 1.00 4.23 C ATOM 477 CE2 PHE A 33 11.073 -7.665 10.872 1.00 5.58 C ATOM 478 CZ PHE A 33 12.236 -8.322 11.128 1.00 5.00 C ATOM 0 H PHE A 33 12.797 -8.273 6.114 1.00 2.06 H new ATOM 0 HA PHE A 33 10.716 -7.419 6.554 1.00 1.93 H new ATOM 0 HB2 PHE A 33 12.823 -5.383 7.410 1.00 2.91 H new ATOM 0 HB3 PHE A 33 11.131 -5.105 7.775 1.00 2.91 H new ATOM 0 HD1 PHE A 33 13.998 -7.316 8.422 1.00 3.63 H new ATOM 0 HD2 PHE A 33 10.030 -6.340 9.503 1.00 4.86 H new ATOM 0 HE1 PHE A 33 14.208 -8.730 10.473 1.00 4.23 H new ATOM 0 HE2 PHE A 33 10.241 -7.754 11.555 1.00 5.58 H new ATOM 0 HZ PHE A 33 12.327 -8.933 12.014 1.00 5.00 H new ATOM 488 N SER A 34 10.450 -6.251 4.195 1.00 1.09 N ATOM 489 CA SER A 34 9.874 -5.446 3.131 1.00 0.81 C ATOM 490 C SER A 34 8.405 -5.825 2.926 1.00 0.74 C ATOM 491 O SER A 34 8.060 -7.006 2.918 1.00 1.18 O ATOM 492 CB SER A 34 10.653 -5.620 1.826 1.00 1.19 C ATOM 493 OG SER A 34 9.794 -5.630 0.688 1.00 1.39 O ATOM 0 H SER A 34 10.478 -7.253 4.005 1.00 1.09 H new ATOM 0 HA SER A 34 9.936 -4.398 3.423 1.00 0.81 H new ATOM 0 HB2 SER A 34 11.378 -4.812 1.726 1.00 1.19 H new ATOM 0 HB3 SER A 34 11.217 -6.552 1.862 1.00 1.19 H new ATOM 0 HG SER A 34 10.273 -5.268 -0.087 1.00 1.39 H new ATOM 499 N GLY A 35 7.580 -4.801 2.766 1.00 0.66 N ATOM 500 CA GLY A 35 6.157 -5.010 2.561 1.00 0.97 C ATOM 501 C GLY A 35 5.405 -3.679 2.536 1.00 0.88 C ATOM 502 O GLY A 35 5.978 -2.644 2.204 1.00 1.00 O ATOM 0 H GLY A 35 7.870 -3.823 2.774 1.00 0.66 H new ATOM 0 HA2 GLY A 35 5.995 -5.541 1.623 1.00 0.97 H new ATOM 0 HA3 GLY A 35 5.760 -5.641 3.356 1.00 0.97 H new ATOM 506 N ALA A 36 4.130 -3.750 2.891 1.00 0.78 N ATOM 507 CA ALA A 36 3.292 -2.561 2.913 1.00 0.76 C ATOM 508 C ALA A 36 2.139 -2.775 3.896 1.00 0.75 C ATOM 509 O ALA A 36 1.911 -3.892 4.358 1.00 0.86 O ATOM 510 CB ALA A 36 2.803 -2.255 1.496 1.00 1.00 C ATOM 0 H ALA A 36 3.657 -4.611 3.165 1.00 0.78 H new ATOM 0 HA ALA A 36 3.860 -1.696 3.255 1.00 0.76 H new ATOM 0 HB1 ALA A 36 2.175 -1.364 1.512 1.00 1.00 H new ATOM 0 HB2 ALA A 36 3.660 -2.083 0.845 1.00 1.00 H new ATOM 0 HB3 ALA A 36 2.225 -3.099 1.120 1.00 1.00 H new ATOM 516 N LYS A 37 1.441 -1.685 4.185 1.00 0.67 N ATOM 517 CA LYS A 37 0.317 -1.739 5.104 1.00 0.72 C ATOM 518 C LYS A 37 -0.639 -0.584 4.800 1.00 0.66 C ATOM 519 O LYS A 37 -0.211 0.559 4.652 1.00 0.64 O ATOM 520 CB LYS A 37 0.809 -1.766 6.552 1.00 0.74 C ATOM 521 CG LYS A 37 0.953 -3.204 7.056 1.00 1.01 C ATOM 522 CD LYS A 37 2.419 -3.544 7.334 1.00 2.50 C ATOM 523 CE LYS A 37 2.592 -5.038 7.608 1.00 3.22 C ATOM 524 NZ LYS A 37 3.631 -5.611 6.724 1.00 5.26 N ATOM 0 H LYS A 37 1.633 -0.761 3.799 1.00 0.67 H new ATOM 0 HA LYS A 37 -0.244 -2.663 4.966 1.00 0.72 H new ATOM 0 HB2 LYS A 37 1.769 -1.254 6.623 1.00 0.74 H new ATOM 0 HB3 LYS A 37 0.110 -1.222 7.188 1.00 0.74 H new ATOM 0 HG2 LYS A 37 0.367 -3.335 7.966 1.00 1.01 H new ATOM 0 HG3 LYS A 37 0.550 -3.895 6.315 1.00 1.01 H new ATOM 0 HD2 LYS A 37 3.032 -3.254 6.480 1.00 2.50 H new ATOM 0 HD3 LYS A 37 2.773 -2.970 8.190 1.00 2.50 H new ATOM 0 HE2 LYS A 37 2.868 -5.193 8.651 1.00 3.22 H new ATOM 0 HE3 LYS A 37 1.646 -5.555 7.449 1.00 3.22 H new ATOM 0 HZ1 LYS A 37 3.735 -6.626 6.924 1.00 5.26 H new ATOM 0 HZ2 LYS A 37 3.352 -5.480 5.731 1.00 5.26 H new ATOM 0 HZ3 LYS A 37 4.537 -5.130 6.896 1.00 5.26 H new ATOM 538 N LEU A 38 -1.918 -0.922 4.716 1.00 0.67 N ATOM 539 CA LEU A 38 -2.938 0.071 4.434 1.00 0.64 C ATOM 540 C LEU A 38 -3.462 0.648 5.751 1.00 0.66 C ATOM 541 O LEU A 38 -3.592 -0.073 6.740 1.00 0.77 O ATOM 542 CB LEU A 38 -4.032 -0.521 3.544 1.00 0.61 C ATOM 543 CG LEU A 38 -5.369 0.222 3.540 1.00 0.51 C ATOM 544 CD1 LEU A 38 -5.176 1.698 3.187 1.00 0.52 C ATOM 545 CD2 LEU A 38 -6.374 -0.462 2.609 1.00 0.61 C ATOM 0 H LEU A 38 -2.270 -1.871 4.839 1.00 0.67 H new ATOM 0 HA LEU A 38 -2.514 0.901 3.869 1.00 0.64 H new ATOM 0 HB2 LEU A 38 -3.658 -0.561 2.521 1.00 0.61 H new ATOM 0 HB3 LEU A 38 -4.211 -1.549 3.858 1.00 0.61 H new ATOM 0 HG LEU A 38 -5.783 0.183 4.547 1.00 0.51 H new ATOM 0 HD11 LEU A 38 -6.142 2.202 3.191 1.00 0.52 H new ATOM 0 HD12 LEU A 38 -4.520 2.165 3.921 1.00 0.52 H new ATOM 0 HD13 LEU A 38 -4.729 1.780 2.196 1.00 0.52 H new ATOM 0 HD21 LEU A 38 -7.316 0.086 2.625 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -5.979 -0.475 1.593 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -6.544 -1.485 2.945 1.00 0.61 H new ATOM 557 N VAL A 39 -3.748 1.941 5.722 1.00 0.62 N ATOM 558 CA VAL A 39 -4.256 2.622 6.901 1.00 0.65 C ATOM 559 C VAL A 39 -5.318 3.638 6.481 1.00 0.65 C ATOM 560 O VAL A 39 -5.146 4.349 5.491 1.00 0.67 O ATOM 561 CB VAL A 39 -3.099 3.253 7.678 1.00 0.71 C ATOM 562 CG1 VAL A 39 -1.943 2.264 7.842 1.00 0.82 C ATOM 563 CG2 VAL A 39 -2.625 4.543 7.005 1.00 0.69 C ATOM 0 H VAL A 39 -3.638 2.535 4.901 1.00 0.62 H new ATOM 0 HA VAL A 39 -4.735 1.912 7.575 1.00 0.65 H new ATOM 0 HB VAL A 39 -3.465 3.508 8.673 1.00 0.71 H new ATOM 0 HG11 VAL A 39 -1.134 2.739 8.398 1.00 0.82 H new ATOM 0 HG12 VAL A 39 -2.290 1.385 8.386 1.00 0.82 H new ATOM 0 HG13 VAL A 39 -1.580 1.963 6.859 1.00 0.82 H new ATOM 0 HG21 VAL A 39 -1.802 4.971 7.578 1.00 0.69 H new ATOM 0 HG22 VAL A 39 -2.286 4.322 5.993 1.00 0.69 H new ATOM 0 HG23 VAL A 39 -3.448 5.256 6.965 1.00 0.69 H new ATOM 573 N MET A 40 -6.395 3.675 7.252 1.00 0.67 N ATOM 574 CA MET A 40 -7.486 4.593 6.972 1.00 0.71 C ATOM 575 C MET A 40 -7.278 5.928 7.690 1.00 0.83 C ATOM 576 O MET A 40 -7.595 6.057 8.872 1.00 0.91 O ATOM 577 CB MET A 40 -8.807 3.969 7.427 1.00 0.73 C ATOM 578 CG MET A 40 -9.974 4.934 7.205 1.00 0.82 C ATOM 579 SD MET A 40 -11.220 4.683 8.458 1.00 0.95 S ATOM 580 CE MET A 40 -12.046 6.264 8.395 1.00 2.28 C ATOM 0 H MET A 40 -6.535 3.084 8.071 1.00 0.67 H new ATOM 0 HA MET A 40 -7.512 4.780 5.898 1.00 0.71 H new ATOM 0 HB2 MET A 40 -8.985 3.045 6.877 1.00 0.73 H new ATOM 0 HB3 MET A 40 -8.744 3.705 8.483 1.00 0.73 H new ATOM 0 HG2 MET A 40 -9.617 5.963 7.237 1.00 0.82 H new ATOM 0 HG3 MET A 40 -10.404 4.776 6.216 1.00 0.82 H new ATOM 0 HE1 MET A 40 -12.859 6.279 9.121 1.00 2.28 H new ATOM 0 HE2 MET A 40 -11.335 7.056 8.630 1.00 2.28 H new ATOM 0 HE3 MET A 40 -12.450 6.424 7.395 1.00 2.28 H new ATOM 590 N THR A 41 -6.746 6.887 6.947 1.00 0.85 N ATOM 591 CA THR A 41 -6.492 8.207 7.497 1.00 0.97 C ATOM 592 C THR A 41 -7.321 9.261 6.762 1.00 1.15 C ATOM 593 O THR A 41 -6.771 10.196 6.183 1.00 1.29 O ATOM 594 CB THR A 41 -4.985 8.465 7.431 1.00 1.02 C ATOM 595 OG1 THR A 41 -4.836 9.786 7.943 1.00 1.15 O ATOM 596 CG2 THR A 41 -4.470 8.563 5.993 1.00 1.17 C ATOM 0 H THR A 41 -6.484 6.776 5.968 1.00 0.85 H new ATOM 0 HA THR A 41 -6.802 8.266 8.540 1.00 0.97 H new ATOM 0 HB THR A 41 -4.457 7.666 7.952 1.00 1.02 H new ATOM 0 HG1 THR A 41 -5.270 10.423 7.337 1.00 1.15 H new ATOM 0 HG21 THR A 41 -3.396 8.747 6.003 1.00 1.17 H new ATOM 0 HG22 THR A 41 -4.674 7.629 5.469 1.00 1.17 H new ATOM 0 HG23 THR A 41 -4.973 9.383 5.481 1.00 1.17 H new ATOM 604 N ALA A 42 -8.632 9.073 6.808 1.00 1.19 N ATOM 605 CA ALA A 42 -9.544 9.996 6.152 1.00 1.39 C ATOM 606 C ALA A 42 -9.458 11.363 6.836 1.00 1.39 C ATOM 607 O ALA A 42 -8.932 12.315 6.262 1.00 2.38 O ATOM 608 CB ALA A 42 -10.960 9.420 6.177 1.00 1.52 C ATOM 0 H ALA A 42 -9.085 8.296 7.289 1.00 1.19 H new ATOM 0 HA ALA A 42 -9.266 10.132 5.107 1.00 1.39 H new ATOM 0 HB1 ALA A 42 -11.643 10.112 5.685 1.00 1.52 H new ATOM 0 HB2 ALA A 42 -10.973 8.464 5.654 1.00 1.52 H new ATOM 0 HB3 ALA A 42 -11.275 9.272 7.210 1.00 1.52 H new ATOM 614 N MET A 43 -9.982 11.414 8.051 1.00 1.31 N ATOM 615 CA MET A 43 -9.971 12.648 8.819 1.00 1.57 C ATOM 616 C MET A 43 -9.320 12.437 10.187 1.00 1.65 C ATOM 617 O MET A 43 -9.299 11.321 10.703 1.00 1.77 O ATOM 618 CB MET A 43 -11.406 13.145 9.008 1.00 1.83 C ATOM 619 CG MET A 43 -11.797 14.125 7.901 1.00 2.14 C ATOM 620 SD MET A 43 -13.088 15.215 8.478 1.00 3.01 S ATOM 621 CE MET A 43 -12.232 16.779 8.397 1.00 4.06 C ATOM 0 H MET A 43 -10.417 10.621 8.523 1.00 1.31 H new ATOM 0 HA MET A 43 -9.389 13.389 8.271 1.00 1.57 H new ATOM 0 HB2 MET A 43 -12.091 12.297 9.007 1.00 1.83 H new ATOM 0 HB3 MET A 43 -11.501 13.631 9.979 1.00 1.83 H new ATOM 0 HG2 MET A 43 -10.928 14.707 7.596 1.00 2.14 H new ATOM 0 HG3 MET A 43 -12.138 13.577 7.023 1.00 2.14 H new ATOM 0 HE1 MET A 43 -12.899 17.576 8.726 1.00 4.06 H new ATOM 0 HE2 MET A 43 -11.356 16.748 9.045 1.00 4.06 H new ATOM 0 HE3 MET A 43 -11.918 16.969 7.371 1.00 4.06 H new ATOM 631 N PRO A 44 -8.789 13.556 10.750 1.00 2.07 N ATOM 632 CA PRO A 44 -8.139 13.504 12.048 1.00 2.40 C ATOM 633 C PRO A 44 -9.169 13.384 13.173 1.00 2.97 C ATOM 634 O PRO A 44 -9.584 14.388 13.750 1.00 3.67 O ATOM 635 CB PRO A 44 -7.318 14.780 12.128 1.00 2.98 C ATOM 636 CG PRO A 44 -7.899 15.716 11.080 1.00 3.23 C ATOM 637 CD PRO A 44 -8.796 14.895 10.168 1.00 2.59 C ATOM 0 HA PRO A 44 -7.501 12.628 12.164 1.00 2.40 H new ATOM 0 HB2 PRO A 44 -7.379 15.222 13.123 1.00 2.98 H new ATOM 0 HB3 PRO A 44 -6.265 14.580 11.932 1.00 2.98 H new ATOM 0 HG2 PRO A 44 -8.467 16.516 11.555 1.00 3.23 H new ATOM 0 HG3 PRO A 44 -7.102 16.189 10.506 1.00 3.23 H new ATOM 0 HD2 PRO A 44 -9.805 15.305 10.131 1.00 2.59 H new ATOM 0 HD3 PRO A 44 -8.418 14.885 9.146 1.00 2.59 H new ATOM 645 N GLY A 45 -9.552 12.146 13.452 1.00 3.20 N ATOM 646 CA GLY A 45 -10.525 11.882 14.497 1.00 4.08 C ATOM 647 C GLY A 45 -9.843 11.738 15.859 1.00 4.01 C ATOM 648 O GLY A 45 -10.169 12.460 16.800 1.00 4.16 O ATOM 0 H GLY A 45 -9.206 11.315 12.972 1.00 3.20 H new ATOM 0 HA2 GLY A 45 -11.252 12.693 14.535 1.00 4.08 H new ATOM 0 HA3 GLY A 45 -11.076 10.971 14.264 1.00 4.08 H new ATOM 652 N MET A 46 -8.906 10.803 15.921 1.00 4.03 N ATOM 653 CA MET A 46 -8.174 10.556 17.150 1.00 4.30 C ATOM 654 C MET A 46 -6.848 11.320 17.163 1.00 3.67 C ATOM 655 O MET A 46 -5.778 10.713 17.131 1.00 3.91 O ATOM 656 CB MET A 46 -7.901 9.057 17.291 1.00 5.17 C ATOM 657 CG MET A 46 -9.128 8.326 17.841 1.00 6.21 C ATOM 658 SD MET A 46 -8.960 8.092 19.603 1.00 6.97 S ATOM 659 CE MET A 46 -10.245 9.186 20.184 1.00 6.79 C ATOM 0 H MET A 46 -8.637 10.207 15.138 1.00 4.03 H new ATOM 0 HA MET A 46 -8.780 10.904 17.986 1.00 4.30 H new ATOM 0 HB2 MET A 46 -7.629 8.640 16.321 1.00 5.17 H new ATOM 0 HB3 MET A 46 -7.051 8.899 17.955 1.00 5.17 H new ATOM 0 HG2 MET A 46 -10.030 8.899 17.626 1.00 6.21 H new ATOM 0 HG3 MET A 46 -9.239 7.361 17.347 1.00 6.21 H new ATOM 0 HE1 MET A 46 -10.279 9.162 21.273 1.00 6.79 H new ATOM 0 HE2 MET A 46 -10.036 10.202 19.850 1.00 6.79 H new ATOM 0 HE3 MET A 46 -11.206 8.863 19.784 1.00 6.79 H new ATOM 669 N GLU A 47 -6.962 12.639 17.208 1.00 3.29 N ATOM 670 CA GLU A 47 -5.787 13.492 17.225 1.00 3.22 C ATOM 671 C GLU A 47 -4.873 13.159 16.044 1.00 2.91 C ATOM 672 O GLU A 47 -3.699 12.840 16.232 1.00 3.40 O ATOM 673 CB GLU A 47 -5.034 13.364 18.552 1.00 3.94 C ATOM 674 CG GLU A 47 -4.459 14.713 18.988 1.00 4.39 C ATOM 675 CD GLU A 47 -3.158 14.526 19.770 1.00 5.27 C ATOM 676 OE1 GLU A 47 -3.022 13.552 20.525 1.00 6.04 O ATOM 677 OE2 GLU A 47 -2.267 15.438 19.573 1.00 5.57 O ATOM 0 H GLU A 47 -7.851 13.138 17.233 1.00 3.29 H new ATOM 0 HA GLU A 47 -6.113 14.528 17.128 1.00 3.22 H new ATOM 0 HB2 GLU A 47 -5.707 12.986 19.321 1.00 3.94 H new ATOM 0 HB3 GLU A 47 -4.228 12.637 18.448 1.00 3.94 H new ATOM 0 HG2 GLU A 47 -4.275 15.334 18.112 1.00 4.39 H new ATOM 0 HG3 GLU A 47 -5.186 15.240 19.605 1.00 4.39 H new ATOM 684 N HIS A 48 -5.446 13.244 14.852 1.00 2.47 N ATOM 685 CA HIS A 48 -4.697 12.956 13.640 1.00 2.44 C ATOM 686 C HIS A 48 -3.874 11.681 13.837 1.00 2.04 C ATOM 687 O HIS A 48 -2.696 11.746 14.186 1.00 2.47 O ATOM 688 CB HIS A 48 -3.842 14.156 13.231 1.00 3.34 C ATOM 689 CG HIS A 48 -3.073 14.780 14.371 1.00 4.67 C ATOM 690 ND1 HIS A 48 -1.866 14.453 14.916 1.00 6.03 N flip ATOM 691 CD2 HIS A 48 -3.540 15.872 15.082 1.00 5.66 C flip ATOM 692 CE1 HIS A 48 -1.609 15.300 15.905 1.00 7.50 C flip ATOM 693 NE2 HIS A 48 -2.646 16.180 16.010 1.00 7.27 N flip ATOM 0 H HIS A 48 -6.419 13.508 14.700 1.00 2.47 H new ATOM 0 HA HIS A 48 -5.387 12.778 12.815 1.00 2.44 H new ATOM 0 HB2 HIS A 48 -3.138 13.842 12.461 1.00 3.34 H new ATOM 0 HB3 HIS A 48 -4.487 14.913 12.784 1.00 3.34 H new ATOM 0 HD2 HIS A 48 -4.474 16.386 14.910 1.00 5.66 H new ATOM 0 HE1 HIS A 48 -0.724 15.294 16.525 1.00 7.50 H new ATOM 0 HE2 HIS A 48 -2.720 16.941 16.685 1.00 7.27 H new ATOM 701 N SER A 49 -4.526 10.552 13.603 1.00 1.69 N ATOM 702 CA SER A 49 -3.868 9.263 13.749 1.00 2.03 C ATOM 703 C SER A 49 -4.453 8.262 12.752 1.00 1.73 C ATOM 704 O SER A 49 -5.668 8.077 12.692 1.00 1.68 O ATOM 705 CB SER A 49 -4.007 8.734 15.177 1.00 2.70 C ATOM 706 OG SER A 49 -2.907 7.909 15.551 1.00 3.81 O ATOM 0 H SER A 49 -5.503 10.502 13.313 1.00 1.69 H new ATOM 0 HA SER A 49 -2.806 9.394 13.541 1.00 2.03 H new ATOM 0 HB2 SER A 49 -4.082 9.573 15.869 1.00 2.70 H new ATOM 0 HB3 SER A 49 -4.933 8.165 15.264 1.00 2.70 H new ATOM 0 HG SER A 49 -3.033 7.593 16.470 1.00 3.81 H new ATOM 712 N PRO A 50 -3.538 7.624 11.974 1.00 1.67 N ATOM 713 CA PRO A 50 -3.951 6.645 10.983 1.00 1.51 C ATOM 714 C PRO A 50 -4.354 5.327 11.649 1.00 1.36 C ATOM 715 O PRO A 50 -3.706 4.881 12.593 1.00 1.64 O ATOM 716 CB PRO A 50 -2.757 6.500 10.054 1.00 1.70 C ATOM 717 CG PRO A 50 -1.563 7.046 10.819 1.00 1.92 C ATOM 718 CD PRO A 50 -2.091 7.817 12.018 1.00 1.90 C ATOM 0 HA PRO A 50 -4.836 6.955 10.428 1.00 1.51 H new ATOM 0 HB2 PRO A 50 -2.601 5.457 9.779 1.00 1.70 H new ATOM 0 HB3 PRO A 50 -2.913 7.053 9.128 1.00 1.70 H new ATOM 0 HG2 PRO A 50 -0.913 6.233 11.144 1.00 1.92 H new ATOM 0 HG3 PRO A 50 -0.965 7.696 10.180 1.00 1.92 H new ATOM 0 HD2 PRO A 50 -1.669 7.439 12.949 1.00 1.90 H new ATOM 0 HD3 PRO A 50 -1.830 8.874 11.956 1.00 1.90 H new ATOM 726 N MET A 51 -5.423 4.742 11.128 1.00 1.02 N ATOM 727 CA MET A 51 -5.920 3.484 11.659 1.00 0.93 C ATOM 728 C MET A 51 -5.633 2.331 10.696 1.00 0.81 C ATOM 729 O MET A 51 -6.222 2.256 9.618 1.00 0.84 O ATOM 730 CB MET A 51 -7.429 3.591 11.895 1.00 0.99 C ATOM 731 CG MET A 51 -7.738 4.561 13.036 1.00 1.41 C ATOM 732 SD MET A 51 -9.280 5.404 12.721 1.00 2.86 S ATOM 733 CE MET A 51 -8.905 7.005 13.414 1.00 4.22 C ATOM 0 H MET A 51 -5.958 5.116 10.344 1.00 1.02 H new ATOM 0 HA MET A 51 -5.410 3.281 12.600 1.00 0.93 H new ATOM 0 HB2 MET A 51 -7.920 3.929 10.983 1.00 0.99 H new ATOM 0 HB3 MET A 51 -7.835 2.607 12.130 1.00 0.99 H new ATOM 0 HG2 MET A 51 -7.797 4.018 13.980 1.00 1.41 H new ATOM 0 HG3 MET A 51 -6.931 5.287 13.136 1.00 1.41 H new ATOM 0 HE1 MET A 51 -9.815 7.602 13.463 1.00 4.22 H new ATOM 0 HE2 MET A 51 -8.498 6.881 14.417 1.00 4.22 H new ATOM 0 HE3 MET A 51 -8.172 7.511 12.785 1.00 4.22 H new ATOM 743 N ALA A 52 -4.730 1.459 11.120 1.00 0.86 N ATOM 744 CA ALA A 52 -4.358 0.313 10.309 1.00 0.77 C ATOM 745 C ALA A 52 -5.615 -0.488 9.960 1.00 0.72 C ATOM 746 O ALA A 52 -6.498 -0.660 10.798 1.00 0.76 O ATOM 747 CB ALA A 52 -3.321 -0.527 11.057 1.00 0.81 C ATOM 0 H ALA A 52 -4.245 1.523 12.015 1.00 0.86 H new ATOM 0 HA ALA A 52 -3.902 0.636 9.373 1.00 0.77 H new ATOM 0 HB1 ALA A 52 -3.042 -1.387 10.448 1.00 0.81 H new ATOM 0 HB2 ALA A 52 -2.437 0.079 11.256 1.00 0.81 H new ATOM 0 HB3 ALA A 52 -3.744 -0.872 12.000 1.00 0.81 H new ATOM 753 N VAL A 53 -5.653 -0.957 8.721 1.00 0.67 N ATOM 754 CA VAL A 53 -6.786 -1.736 8.251 1.00 0.69 C ATOM 755 C VAL A 53 -6.401 -3.216 8.210 1.00 0.64 C ATOM 756 O VAL A 53 -5.222 -3.551 8.106 1.00 0.75 O ATOM 757 CB VAL A 53 -7.262 -1.204 6.897 1.00 0.74 C ATOM 758 CG1 VAL A 53 -6.462 -1.827 5.752 1.00 0.65 C ATOM 759 CG2 VAL A 53 -8.762 -1.440 6.711 1.00 0.89 C ATOM 0 H VAL A 53 -4.918 -0.813 8.029 1.00 0.67 H new ATOM 0 HA VAL A 53 -7.627 -1.638 8.937 1.00 0.69 H new ATOM 0 HB VAL A 53 -7.089 -0.128 6.880 1.00 0.74 H new ATOM 0 HG11 VAL A 53 -6.820 -1.432 4.801 1.00 0.65 H new ATOM 0 HG12 VAL A 53 -5.406 -1.584 5.871 1.00 0.65 H new ATOM 0 HG13 VAL A 53 -6.589 -2.909 5.766 1.00 0.65 H new ATOM 0 HG21 VAL A 53 -9.074 -1.053 5.741 1.00 0.89 H new ATOM 0 HG22 VAL A 53 -8.971 -2.509 6.759 1.00 0.89 H new ATOM 0 HG23 VAL A 53 -9.312 -0.927 7.500 1.00 0.89 H new ATOM 769 N LYS A 54 -7.417 -4.062 8.293 1.00 0.67 N ATOM 770 CA LYS A 54 -7.200 -5.498 8.266 1.00 0.74 C ATOM 771 C LYS A 54 -6.972 -5.948 6.821 1.00 0.64 C ATOM 772 O LYS A 54 -7.702 -6.795 6.309 1.00 0.88 O ATOM 773 CB LYS A 54 -8.349 -6.227 8.964 1.00 0.97 C ATOM 774 CG LYS A 54 -9.649 -6.090 8.168 1.00 2.83 C ATOM 775 CD LYS A 54 -10.865 -6.359 9.055 1.00 3.17 C ATOM 776 CE LYS A 54 -11.326 -7.813 8.930 1.00 4.07 C ATOM 777 NZ LYS A 54 -12.728 -7.953 9.380 1.00 5.02 N ATOM 0 H LYS A 54 -8.393 -3.780 8.379 1.00 0.67 H new ATOM 0 HA LYS A 54 -6.302 -5.758 8.826 1.00 0.74 H new ATOM 0 HB2 LYS A 54 -8.099 -7.282 9.080 1.00 0.97 H new ATOM 0 HB3 LYS A 54 -8.487 -5.820 9.966 1.00 0.97 H new ATOM 0 HG2 LYS A 54 -9.717 -5.088 7.746 1.00 2.83 H new ATOM 0 HG3 LYS A 54 -9.643 -6.789 7.331 1.00 2.83 H new ATOM 0 HD2 LYS A 54 -10.617 -6.141 10.094 1.00 3.17 H new ATOM 0 HD3 LYS A 54 -11.679 -5.691 8.774 1.00 3.17 H new ATOM 0 HE2 LYS A 54 -11.236 -8.141 7.895 1.00 4.07 H new ATOM 0 HE3 LYS A 54 -10.680 -8.458 9.526 1.00 4.07 H new ATOM 0 HZ1 LYS A 54 -13.025 -8.946 9.288 1.00 5.02 H new ATOM 0 HZ2 LYS A 54 -12.804 -7.659 10.375 1.00 5.02 H new ATOM 0 HZ3 LYS A 54 -13.342 -7.353 8.794 1.00 5.02 H new ATOM 791 N ALA A 55 -5.956 -5.362 6.206 1.00 1.10 N ATOM 792 CA ALA A 55 -5.623 -5.692 4.830 1.00 1.05 C ATOM 793 C ALA A 55 -4.546 -6.780 4.817 1.00 1.01 C ATOM 794 O ALA A 55 -4.034 -7.163 5.868 1.00 1.03 O ATOM 795 CB ALA A 55 -5.182 -4.427 4.093 1.00 0.99 C ATOM 0 H ALA A 55 -5.352 -4.661 6.635 1.00 1.10 H new ATOM 0 HA ALA A 55 -6.496 -6.085 4.308 1.00 1.05 H new ATOM 0 HB1 ALA A 55 -4.932 -4.675 3.061 1.00 0.99 H new ATOM 0 HB2 ALA A 55 -5.992 -3.698 4.105 1.00 0.99 H new ATOM 0 HB3 ALA A 55 -4.307 -4.005 4.587 1.00 0.99 H new ATOM 801 N ALA A 56 -4.236 -7.246 3.617 1.00 0.99 N ATOM 802 CA ALA A 56 -3.230 -8.281 3.454 1.00 0.98 C ATOM 803 C ALA A 56 -2.463 -8.041 2.151 1.00 0.88 C ATOM 804 O ALA A 56 -3.023 -7.527 1.183 1.00 0.90 O ATOM 805 CB ALA A 56 -3.901 -9.656 3.490 1.00 1.10 C ATOM 0 H ALA A 56 -4.664 -6.926 2.748 1.00 0.99 H new ATOM 0 HA ALA A 56 -2.510 -8.248 4.272 1.00 0.98 H new ATOM 0 HB1 ALA A 56 -3.146 -10.433 3.368 1.00 1.10 H new ATOM 0 HB2 ALA A 56 -4.407 -9.789 4.446 1.00 1.10 H new ATOM 0 HB3 ALA A 56 -4.629 -9.727 2.682 1.00 1.10 H new ATOM 811 N VAL A 57 -1.195 -8.423 2.170 1.00 0.83 N ATOM 812 CA VAL A 57 -0.346 -8.256 1.002 1.00 0.76 C ATOM 813 C VAL A 57 -0.007 -9.631 0.422 1.00 0.78 C ATOM 814 O VAL A 57 0.487 -10.504 1.134 1.00 0.85 O ATOM 815 CB VAL A 57 0.894 -7.440 1.370 1.00 0.78 C ATOM 816 CG1 VAL A 57 0.509 -6.174 2.138 1.00 2.13 C ATOM 817 CG2 VAL A 57 1.889 -8.284 2.168 1.00 1.69 C ATOM 0 H VAL A 57 -0.735 -8.848 2.975 1.00 0.83 H new ATOM 0 HA VAL A 57 -0.869 -7.696 0.226 1.00 0.76 H new ATOM 0 HB VAL A 57 1.381 -7.135 0.444 1.00 0.78 H new ATOM 0 HG11 VAL A 57 1.409 -5.612 2.388 1.00 2.13 H new ATOM 0 HG12 VAL A 57 -0.144 -5.558 1.520 1.00 2.13 H new ATOM 0 HG13 VAL A 57 -0.013 -6.449 3.055 1.00 2.13 H new ATOM 0 HG21 VAL A 57 2.761 -7.680 2.417 1.00 1.69 H new ATOM 0 HG22 VAL A 57 1.416 -8.633 3.086 1.00 1.69 H new ATOM 0 HG23 VAL A 57 2.200 -9.141 1.571 1.00 1.69 H new ATOM 827 N SER A 58 -0.285 -9.780 -0.865 1.00 0.75 N ATOM 828 CA SER A 58 -0.015 -11.034 -1.548 1.00 0.81 C ATOM 829 C SER A 58 0.558 -10.758 -2.940 1.00 0.88 C ATOM 830 O SER A 58 0.024 -9.937 -3.682 1.00 1.36 O ATOM 831 CB SER A 58 -1.281 -11.887 -1.654 1.00 0.94 C ATOM 832 OG SER A 58 -2.003 -11.926 -0.426 1.00 1.05 O ATOM 0 H SER A 58 -0.694 -9.054 -1.453 1.00 0.75 H new ATOM 0 HA SER A 58 0.718 -11.591 -0.964 1.00 0.81 H new ATOM 0 HB2 SER A 58 -1.923 -11.487 -2.439 1.00 0.94 H new ATOM 0 HB3 SER A 58 -1.011 -12.901 -1.948 1.00 0.94 H new ATOM 0 HG SER A 58 -2.805 -12.479 -0.535 1.00 1.05 H new ATOM 838 N GLY A 59 1.637 -11.462 -3.251 1.00 0.71 N ATOM 839 CA GLY A 59 2.288 -11.303 -4.539 1.00 0.72 C ATOM 840 C GLY A 59 1.469 -11.962 -5.652 1.00 0.90 C ATOM 841 O GLY A 59 0.627 -12.817 -5.384 1.00 1.12 O ATOM 0 H GLY A 59 2.076 -12.144 -2.632 1.00 0.71 H new ATOM 0 HA2 GLY A 59 2.418 -10.243 -4.757 1.00 0.72 H new ATOM 0 HA3 GLY A 59 3.284 -11.745 -4.504 1.00 0.72 H new ATOM 845 N GLY A 60 1.745 -11.538 -6.877 1.00 0.88 N ATOM 846 CA GLY A 60 1.045 -12.075 -8.031 1.00 1.11 C ATOM 847 C GLY A 60 1.799 -13.269 -8.622 1.00 1.23 C ATOM 848 O GLY A 60 2.321 -14.105 -7.886 1.00 1.96 O ATOM 0 H GLY A 60 2.444 -10.828 -7.095 1.00 0.88 H new ATOM 0 HA2 GLY A 60 0.040 -12.382 -7.741 1.00 1.11 H new ATOM 0 HA3 GLY A 60 0.935 -11.299 -8.788 1.00 1.11 H new ATOM 852 N GLY A 61 1.832 -13.309 -9.946 1.00 1.93 N ATOM 853 CA GLY A 61 2.514 -14.386 -10.645 1.00 2.16 C ATOM 854 C GLY A 61 3.946 -14.552 -10.134 1.00 1.96 C ATOM 855 O GLY A 61 4.330 -15.634 -9.693 1.00 2.39 O ATOM 0 H GLY A 61 1.398 -12.614 -10.553 1.00 1.93 H new ATOM 0 HA2 GLY A 61 1.965 -15.318 -10.508 1.00 2.16 H new ATOM 0 HA3 GLY A 61 2.528 -14.178 -11.715 1.00 2.16 H new ATOM 859 N ASP A 62 4.697 -13.463 -10.209 1.00 1.59 N ATOM 860 CA ASP A 62 6.078 -13.474 -9.759 1.00 1.42 C ATOM 861 C ASP A 62 6.161 -12.852 -8.364 1.00 1.36 C ATOM 862 O ASP A 62 5.288 -12.079 -7.973 1.00 1.25 O ATOM 863 CB ASP A 62 6.969 -12.655 -10.695 1.00 1.17 C ATOM 864 CG ASP A 62 7.665 -13.462 -11.794 1.00 1.45 C ATOM 865 OD1 ASP A 62 8.537 -14.315 -11.375 1.00 2.32 O ATOM 866 OD2 ASP A 62 7.389 -13.284 -12.989 1.00 2.26 O ATOM 0 H ASP A 62 4.375 -12.567 -10.575 1.00 1.59 H new ATOM 0 HA ASP A 62 6.420 -14.509 -9.749 1.00 1.42 H new ATOM 0 HB2 ASP A 62 6.363 -11.879 -11.163 1.00 1.17 H new ATOM 0 HB3 ASP A 62 7.729 -12.150 -10.099 1.00 1.17 H new ATOM 871 N PRO A 63 7.247 -13.222 -7.632 1.00 1.52 N ATOM 872 CA PRO A 63 7.454 -12.710 -6.289 1.00 1.61 C ATOM 873 C PRO A 63 7.932 -11.256 -6.325 1.00 1.39 C ATOM 874 O PRO A 63 8.059 -10.614 -5.283 1.00 1.50 O ATOM 875 CB PRO A 63 8.467 -13.652 -5.660 1.00 1.95 C ATOM 876 CG PRO A 63 9.136 -14.377 -6.817 1.00 1.97 C ATOM 877 CD PRO A 63 8.300 -14.136 -8.063 1.00 1.71 C ATOM 0 HA PRO A 63 6.536 -12.685 -5.702 1.00 1.61 H new ATOM 0 HB2 PRO A 63 9.199 -13.101 -5.069 1.00 1.95 H new ATOM 0 HB3 PRO A 63 7.979 -14.357 -4.987 1.00 1.95 H new ATOM 0 HG2 PRO A 63 10.152 -14.009 -6.962 1.00 1.97 H new ATOM 0 HG3 PRO A 63 9.210 -15.444 -6.607 1.00 1.97 H new ATOM 0 HD2 PRO A 63 8.899 -13.701 -8.863 1.00 1.71 H new ATOM 0 HD3 PRO A 63 7.883 -15.067 -8.447 1.00 1.71 H new ATOM 885 N LYS A 64 8.183 -10.780 -7.536 1.00 1.15 N ATOM 886 CA LYS A 64 8.644 -9.413 -7.721 1.00 1.04 C ATOM 887 C LYS A 64 7.437 -8.474 -7.761 1.00 0.81 C ATOM 888 O LYS A 64 7.555 -7.292 -7.441 1.00 0.94 O ATOM 889 CB LYS A 64 9.543 -9.314 -8.956 1.00 1.04 C ATOM 890 CG LYS A 64 8.709 -9.295 -10.240 1.00 0.86 C ATOM 891 CD LYS A 64 9.609 -9.236 -11.475 1.00 1.04 C ATOM 892 CE LYS A 64 8.904 -9.833 -12.696 1.00 1.64 C ATOM 893 NZ LYS A 64 7.856 -8.913 -13.190 1.00 2.69 N ATOM 0 H LYS A 64 8.076 -11.315 -8.398 1.00 1.15 H new ATOM 0 HA LYS A 64 9.263 -9.101 -6.879 1.00 1.04 H new ATOM 0 HB2 LYS A 64 10.149 -8.410 -8.898 1.00 1.04 H new ATOM 0 HB3 LYS A 64 10.232 -10.158 -8.978 1.00 1.04 H new ATOM 0 HG2 LYS A 64 8.082 -10.186 -10.284 1.00 0.86 H new ATOM 0 HG3 LYS A 64 8.040 -8.434 -10.231 1.00 0.86 H new ATOM 0 HD2 LYS A 64 9.885 -8.201 -11.679 1.00 1.04 H new ATOM 0 HD3 LYS A 64 10.534 -9.780 -11.282 1.00 1.04 H new ATOM 0 HE2 LYS A 64 9.631 -10.024 -13.486 1.00 1.64 H new ATOM 0 HE3 LYS A 64 8.459 -10.793 -12.433 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 7.388 -9.333 -14.018 1.00 2.69 H new ATOM 0 HZ2 LYS A 64 7.154 -8.752 -12.440 1.00 2.69 H new ATOM 0 HZ3 LYS A 64 8.289 -8.007 -13.460 1.00 2.69 H new ATOM 907 N THR A 65 6.304 -9.034 -8.158 1.00 0.66 N ATOM 908 CA THR A 65 5.077 -8.262 -8.243 1.00 0.54 C ATOM 909 C THR A 65 4.235 -8.454 -6.980 1.00 0.53 C ATOM 910 O THR A 65 3.960 -9.584 -6.580 1.00 0.66 O ATOM 911 CB THR A 65 4.349 -8.670 -9.526 1.00 0.68 C ATOM 912 OG1 THR A 65 5.062 -7.996 -10.559 1.00 0.67 O ATOM 913 CG2 THR A 65 2.936 -8.090 -9.607 1.00 0.83 C ATOM 0 H THR A 65 6.210 -10.014 -8.424 1.00 0.66 H new ATOM 0 HA THR A 65 5.286 -7.194 -8.296 1.00 0.54 H new ATOM 0 HB THR A 65 4.298 -9.757 -9.585 1.00 0.68 H new ATOM 0 HG1 THR A 65 4.895 -7.032 -10.496 1.00 0.67 H new ATOM 0 HG21 THR A 65 2.464 -8.410 -10.536 1.00 0.83 H new ATOM 0 HG22 THR A 65 2.348 -8.445 -8.760 1.00 0.83 H new ATOM 0 HG23 THR A 65 2.988 -7.001 -9.582 1.00 0.83 H new ATOM 921 N MET A 66 3.851 -7.334 -6.388 1.00 0.47 N ATOM 922 CA MET A 66 3.046 -7.364 -5.178 1.00 0.47 C ATOM 923 C MET A 66 1.600 -6.962 -5.471 1.00 0.42 C ATOM 924 O MET A 66 1.344 -6.169 -6.375 1.00 0.41 O ATOM 925 CB MET A 66 3.644 -6.408 -4.143 1.00 0.51 C ATOM 926 CG MET A 66 4.174 -7.174 -2.929 1.00 0.59 C ATOM 927 SD MET A 66 5.909 -6.827 -2.698 1.00 1.52 S ATOM 928 CE MET A 66 6.580 -7.620 -4.150 1.00 0.83 C ATOM 0 H MET A 66 4.082 -6.399 -6.723 1.00 0.47 H new ATOM 0 HA MET A 66 3.047 -8.382 -4.788 1.00 0.47 H new ATOM 0 HB2 MET A 66 4.452 -5.835 -4.597 1.00 0.51 H new ATOM 0 HB3 MET A 66 2.886 -5.693 -3.823 1.00 0.51 H new ATOM 0 HG2 MET A 66 3.616 -6.889 -2.037 1.00 0.59 H new ATOM 0 HG3 MET A 66 4.024 -8.244 -3.070 1.00 0.59 H new ATOM 0 HE1 MET A 66 7.417 -8.257 -3.863 1.00 0.83 H new ATOM 0 HE2 MET A 66 5.808 -8.227 -4.623 1.00 0.83 H new ATOM 0 HE3 MET A 66 6.926 -6.861 -4.852 1.00 0.83 H new ATOM 938 N VAL A 67 0.693 -7.527 -4.688 1.00 0.46 N ATOM 939 CA VAL A 67 -0.722 -7.236 -4.852 1.00 0.46 C ATOM 940 C VAL A 67 -1.387 -7.169 -3.476 1.00 0.51 C ATOM 941 O VAL A 67 -1.486 -8.179 -2.780 1.00 0.63 O ATOM 942 CB VAL A 67 -1.365 -8.271 -5.777 1.00 0.46 C ATOM 943 CG1 VAL A 67 -2.840 -7.948 -6.022 1.00 1.73 C ATOM 944 CG2 VAL A 67 -0.600 -8.375 -7.099 1.00 1.48 C ATOM 0 H VAL A 67 0.910 -8.184 -3.939 1.00 0.46 H new ATOM 0 HA VAL A 67 -0.860 -6.265 -5.327 1.00 0.46 H new ATOM 0 HB VAL A 67 -1.313 -9.240 -5.281 1.00 0.46 H new ATOM 0 HG11 VAL A 67 -3.272 -8.700 -6.683 1.00 1.73 H new ATOM 0 HG12 VAL A 67 -3.375 -7.949 -5.072 1.00 1.73 H new ATOM 0 HG13 VAL A 67 -2.925 -6.965 -6.486 1.00 1.73 H new ATOM 0 HG21 VAL A 67 -1.078 -9.117 -7.738 1.00 1.48 H new ATOM 0 HG22 VAL A 67 -0.606 -7.407 -7.600 1.00 1.48 H new ATOM 0 HG23 VAL A 67 0.429 -8.675 -6.901 1.00 1.48 H new ATOM 954 N ILE A 68 -1.827 -5.970 -3.125 1.00 0.46 N ATOM 955 CA ILE A 68 -2.481 -5.758 -1.844 1.00 0.53 C ATOM 956 C ILE A 68 -3.973 -6.064 -1.981 1.00 0.54 C ATOM 957 O ILE A 68 -4.670 -5.435 -2.777 1.00 0.55 O ATOM 958 CB ILE A 68 -2.187 -4.352 -1.319 1.00 0.58 C ATOM 959 CG1 ILE A 68 -1.071 -4.378 -0.272 1.00 0.64 C ATOM 960 CG2 ILE A 68 -3.459 -3.689 -0.784 1.00 0.74 C ATOM 961 CD1 ILE A 68 0.306 -4.378 -0.939 1.00 0.59 C ATOM 0 H ILE A 68 -1.744 -5.135 -3.705 1.00 0.46 H new ATOM 0 HA ILE A 68 -2.083 -6.443 -1.095 1.00 0.53 H new ATOM 0 HB ILE A 68 -1.832 -3.745 -2.152 1.00 0.58 H new ATOM 0 HG12 ILE A 68 -1.162 -3.512 0.383 1.00 0.64 H new ATOM 0 HG13 ILE A 68 -1.176 -5.264 0.355 1.00 0.64 H new ATOM 0 HG21 ILE A 68 -3.222 -2.690 -0.417 1.00 0.74 H new ATOM 0 HG22 ILE A 68 -4.195 -3.616 -1.584 1.00 0.74 H new ATOM 0 HG23 ILE A 68 -3.866 -4.288 0.031 1.00 0.74 H new ATOM 0 HD11 ILE A 68 1.081 -4.397 -0.173 1.00 0.59 H new ATOM 0 HD12 ILE A 68 0.402 -5.258 -1.574 1.00 0.59 H new ATOM 0 HD13 ILE A 68 0.417 -3.479 -1.545 1.00 0.59 H new ATOM 973 N THR A 69 -4.422 -7.031 -1.194 1.00 0.56 N ATOM 974 CA THR A 69 -5.819 -7.428 -1.217 1.00 0.59 C ATOM 975 C THR A 69 -6.393 -7.444 0.201 1.00 0.60 C ATOM 976 O THR A 69 -6.119 -8.358 0.976 1.00 0.68 O ATOM 977 CB THR A 69 -5.914 -8.779 -1.926 1.00 0.63 C ATOM 978 OG1 THR A 69 -6.528 -8.474 -3.176 1.00 0.67 O ATOM 979 CG2 THR A 69 -6.906 -9.728 -1.248 1.00 0.67 C ATOM 0 H THR A 69 -3.842 -7.551 -0.536 1.00 0.56 H new ATOM 0 HA THR A 69 -6.425 -6.711 -1.770 1.00 0.59 H new ATOM 0 HB THR A 69 -4.928 -9.243 -1.955 1.00 0.63 H new ATOM 0 HG1 THR A 69 -6.626 -9.295 -3.701 1.00 0.67 H new ATOM 0 HG21 THR A 69 -6.935 -10.673 -1.791 1.00 0.67 H new ATOM 0 HG22 THR A 69 -6.591 -9.910 -0.220 1.00 0.67 H new ATOM 0 HG23 THR A 69 -7.899 -9.278 -1.249 1.00 0.67 H new ATOM 987 N PRO A 70 -7.201 -6.392 0.506 1.00 0.57 N ATOM 988 CA PRO A 70 -7.816 -6.278 1.818 1.00 0.59 C ATOM 989 C PRO A 70 -8.980 -7.259 1.965 1.00 0.68 C ATOM 990 O PRO A 70 -9.802 -7.394 1.060 1.00 0.74 O ATOM 991 CB PRO A 70 -8.248 -4.823 1.923 1.00 0.58 C ATOM 992 CG PRO A 70 -8.281 -4.294 0.499 1.00 0.59 C ATOM 993 CD PRO A 70 -7.549 -5.290 -0.386 1.00 0.56 C ATOM 0 HA PRO A 70 -7.134 -6.537 2.627 1.00 0.59 H new ATOM 0 HB2 PRO A 70 -9.228 -4.740 2.393 1.00 0.58 H new ATOM 0 HB3 PRO A 70 -7.551 -4.252 2.536 1.00 0.58 H new ATOM 0 HG2 PRO A 70 -9.310 -4.169 0.162 1.00 0.59 H new ATOM 0 HG3 PRO A 70 -7.806 -3.314 0.445 1.00 0.59 H new ATOM 0 HD2 PRO A 70 -8.181 -5.629 -1.207 1.00 0.56 H new ATOM 0 HD3 PRO A 70 -6.659 -4.845 -0.831 1.00 0.56 H new ATOM 1001 N ALA A 71 -9.013 -7.920 3.113 1.00 0.74 N ATOM 1002 CA ALA A 71 -10.063 -8.885 3.392 1.00 0.84 C ATOM 1003 C ALA A 71 -11.407 -8.160 3.475 1.00 0.91 C ATOM 1004 O ALA A 71 -12.432 -8.696 3.057 1.00 1.09 O ATOM 1005 CB ALA A 71 -9.729 -9.647 4.676 1.00 0.94 C ATOM 0 H ALA A 71 -8.329 -7.806 3.861 1.00 0.74 H new ATOM 0 HA ALA A 71 -10.134 -9.618 2.589 1.00 0.84 H new ATOM 0 HB1 ALA A 71 -10.517 -10.371 4.885 1.00 0.94 H new ATOM 0 HB2 ALA A 71 -8.780 -10.169 4.553 1.00 0.94 H new ATOM 0 HB3 ALA A 71 -9.652 -8.945 5.506 1.00 0.94 H new ATOM 1011 N SER A 72 -11.359 -6.953 4.020 1.00 0.82 N ATOM 1012 CA SER A 72 -12.561 -6.149 4.164 1.00 0.89 C ATOM 1013 C SER A 72 -12.651 -5.134 3.023 1.00 0.81 C ATOM 1014 O SER A 72 -11.632 -4.629 2.554 1.00 0.70 O ATOM 1015 CB SER A 72 -12.586 -5.432 5.516 1.00 0.93 C ATOM 1016 OG SER A 72 -13.580 -5.965 6.385 1.00 0.89 O ATOM 0 H SER A 72 -10.507 -6.513 4.367 1.00 0.82 H new ATOM 0 HA SER A 72 -13.424 -6.813 4.120 1.00 0.89 H new ATOM 0 HB2 SER A 72 -11.608 -5.517 5.989 1.00 0.93 H new ATOM 0 HB3 SER A 72 -12.773 -4.370 5.359 1.00 0.93 H new ATOM 0 HG SER A 72 -13.562 -5.482 7.237 1.00 0.89 H new ATOM 1022 N PRO A 73 -13.914 -4.858 2.599 1.00 0.92 N ATOM 1023 CA PRO A 73 -14.151 -3.911 1.521 1.00 0.91 C ATOM 1024 C PRO A 73 -13.961 -2.472 2.005 1.00 0.81 C ATOM 1025 O PRO A 73 -14.517 -2.079 3.029 1.00 0.88 O ATOM 1026 CB PRO A 73 -15.567 -4.198 1.050 1.00 1.11 C ATOM 1027 CG PRO A 73 -16.233 -4.970 2.179 1.00 1.21 C ATOM 1028 CD PRO A 73 -15.144 -5.436 3.130 1.00 1.10 C ATOM 0 HA PRO A 73 -13.443 -4.021 0.700 1.00 0.91 H new ATOM 0 HB2 PRO A 73 -16.104 -3.273 0.840 1.00 1.11 H new ATOM 0 HB3 PRO A 73 -15.562 -4.780 0.129 1.00 1.11 H new ATOM 0 HG2 PRO A 73 -16.951 -4.338 2.701 1.00 1.21 H new ATOM 0 HG3 PRO A 73 -16.786 -5.823 1.784 1.00 1.21 H new ATOM 0 HD2 PRO A 73 -15.335 -5.095 4.147 1.00 1.10 H new ATOM 0 HD3 PRO A 73 -15.087 -6.524 3.164 1.00 1.10 H new ATOM 1036 N LEU A 74 -13.174 -1.725 1.245 1.00 0.72 N ATOM 1037 CA LEU A 74 -12.904 -0.338 1.581 1.00 0.65 C ATOM 1038 C LEU A 74 -14.212 0.455 1.548 1.00 0.61 C ATOM 1039 O LEU A 74 -14.830 0.597 0.494 1.00 0.73 O ATOM 1040 CB LEU A 74 -11.816 0.234 0.670 1.00 0.81 C ATOM 1041 CG LEU A 74 -10.486 -0.522 0.659 1.00 0.91 C ATOM 1042 CD1 LEU A 74 -9.624 -0.097 -0.532 1.00 1.11 C ATOM 1043 CD2 LEU A 74 -9.748 -0.354 1.989 1.00 0.82 C ATOM 0 H LEU A 74 -12.714 -2.055 0.396 1.00 0.72 H new ATOM 0 HA LEU A 74 -12.510 -0.263 2.595 1.00 0.65 H new ATOM 0 HB2 LEU A 74 -12.202 0.265 -0.349 1.00 0.81 H new ATOM 0 HB3 LEU A 74 -11.623 1.264 0.970 1.00 0.81 H new ATOM 0 HG LEU A 74 -10.698 -1.585 0.541 1.00 0.91 H new ATOM 0 HD11 LEU A 74 -8.684 -0.649 -0.516 1.00 1.11 H new ATOM 0 HD12 LEU A 74 -10.155 -0.310 -1.460 1.00 1.11 H new ATOM 0 HD13 LEU A 74 -9.418 0.972 -0.469 1.00 1.11 H new ATOM 0 HD21 LEU A 74 -8.806 -0.901 1.954 1.00 0.82 H new ATOM 0 HD22 LEU A 74 -9.547 0.703 2.163 1.00 0.82 H new ATOM 0 HD23 LEU A 74 -10.364 -0.744 2.799 1.00 0.82 H new ATOM 1055 N THR A 75 -14.597 0.950 2.716 1.00 0.51 N ATOM 1056 CA THR A 75 -15.820 1.725 2.834 1.00 0.59 C ATOM 1057 C THR A 75 -15.551 3.198 2.523 1.00 0.62 C ATOM 1058 O THR A 75 -14.403 3.641 2.540 1.00 0.68 O ATOM 1059 CB THR A 75 -16.394 1.493 4.233 1.00 0.66 C ATOM 1060 OG1 THR A 75 -15.250 1.506 5.083 1.00 0.82 O ATOM 1061 CG2 THR A 75 -16.969 0.087 4.405 1.00 0.66 C ATOM 0 H THR A 75 -14.083 0.829 3.589 1.00 0.51 H new ATOM 0 HA THR A 75 -16.564 1.403 2.105 1.00 0.59 H new ATOM 0 HB THR A 75 -17.172 2.230 4.433 1.00 0.66 H new ATOM 0 HG1 THR A 75 -15.531 1.364 6.011 1.00 0.82 H new ATOM 0 HG21 THR A 75 -17.363 -0.024 5.415 1.00 0.66 H new ATOM 0 HG22 THR A 75 -17.771 -0.069 3.684 1.00 0.66 H new ATOM 0 HG23 THR A 75 -16.183 -0.650 4.239 1.00 0.66 H new ATOM 1069 N ALA A 76 -16.629 3.919 2.247 1.00 0.63 N ATOM 1070 CA ALA A 76 -16.523 5.334 1.934 1.00 0.70 C ATOM 1071 C ALA A 76 -15.511 5.986 2.877 1.00 0.63 C ATOM 1072 O ALA A 76 -15.483 5.684 4.069 1.00 0.93 O ATOM 1073 CB ALA A 76 -17.906 5.982 2.023 1.00 0.82 C ATOM 0 H ALA A 76 -17.580 3.549 2.234 1.00 0.63 H new ATOM 0 HA ALA A 76 -16.162 5.476 0.915 1.00 0.70 H new ATOM 0 HB1 ALA A 76 -17.826 7.043 1.788 1.00 0.82 H new ATOM 0 HB2 ALA A 76 -18.579 5.503 1.312 1.00 0.82 H new ATOM 0 HB3 ALA A 76 -18.300 5.862 3.032 1.00 0.82 H new ATOM 1079 N GLY A 77 -14.703 6.869 2.308 1.00 0.46 N ATOM 1080 CA GLY A 77 -13.692 7.568 3.084 1.00 0.50 C ATOM 1081 C GLY A 77 -12.391 7.703 2.292 1.00 0.52 C ATOM 1082 O GLY A 77 -12.403 7.687 1.062 1.00 0.56 O ATOM 0 H GLY A 77 -14.728 7.116 1.319 1.00 0.46 H new ATOM 0 HA2 GLY A 77 -14.059 8.557 3.359 1.00 0.50 H new ATOM 0 HA3 GLY A 77 -13.503 7.028 4.012 1.00 0.50 H new ATOM 1086 N THR A 78 -11.297 7.833 3.029 1.00 0.57 N ATOM 1087 CA THR A 78 -9.989 7.971 2.411 1.00 0.65 C ATOM 1088 C THR A 78 -8.939 7.192 3.205 1.00 0.56 C ATOM 1089 O THR A 78 -9.030 7.087 4.427 1.00 0.56 O ATOM 1090 CB THR A 78 -9.676 9.465 2.295 1.00 0.87 C ATOM 1091 OG1 THR A 78 -10.550 9.923 1.266 1.00 1.02 O ATOM 1092 CG2 THR A 78 -8.276 9.728 1.739 1.00 1.06 C ATOM 0 H THR A 78 -11.290 7.846 4.049 1.00 0.57 H new ATOM 0 HA THR A 78 -9.978 7.542 1.409 1.00 0.65 H new ATOM 0 HB THR A 78 -9.771 9.933 3.275 1.00 0.87 H new ATOM 0 HG1 THR A 78 -10.415 10.884 1.126 1.00 1.02 H new ATOM 0 HG21 THR A 78 -8.105 10.803 1.677 1.00 1.06 H new ATOM 0 HG22 THR A 78 -7.533 9.280 2.398 1.00 1.06 H new ATOM 0 HG23 THR A 78 -8.191 9.289 0.745 1.00 1.06 H new ATOM 1100 N TYR A 79 -7.966 6.663 2.477 1.00 0.53 N ATOM 1101 CA TYR A 79 -6.900 5.896 3.097 1.00 0.51 C ATOM 1102 C TYR A 79 -5.560 6.160 2.407 1.00 0.53 C ATOM 1103 O TYR A 79 -5.514 6.810 1.364 1.00 0.52 O ATOM 1104 CB TYR A 79 -7.275 4.424 2.911 1.00 0.51 C ATOM 1105 CG TYR A 79 -8.734 4.107 3.246 1.00 0.51 C ATOM 1106 CD1 TYR A 79 -9.748 4.604 2.452 1.00 1.79 C ATOM 1107 CD2 TYR A 79 -9.036 3.324 4.341 1.00 1.65 C ATOM 1108 CE1 TYR A 79 -11.121 4.305 2.767 1.00 1.85 C ATOM 1109 CE2 TYR A 79 -10.409 3.025 4.656 1.00 1.63 C ATOM 1110 CZ TYR A 79 -11.384 3.530 3.854 1.00 0.62 C ATOM 1111 OH TYR A 79 -12.680 3.248 4.152 1.00 0.71 O ATOM 0 H TYR A 79 -7.894 6.751 1.463 1.00 0.53 H new ATOM 0 HA TYR A 79 -6.791 6.170 4.146 1.00 0.51 H new ATOM 0 HB2 TYR A 79 -7.080 4.138 1.878 1.00 0.51 H new ATOM 0 HB3 TYR A 79 -6.627 3.812 3.539 1.00 0.51 H new ATOM 0 HD1 TYR A 79 -9.512 5.217 1.595 1.00 1.79 H new ATOM 0 HD2 TYR A 79 -8.243 2.935 4.962 1.00 1.65 H new ATOM 0 HE1 TYR A 79 -11.924 4.687 2.154 1.00 1.85 H new ATOM 0 HE2 TYR A 79 -10.659 2.413 5.510 1.00 1.63 H new ATOM 0 HH TYR A 79 -13.271 3.788 3.586 1.00 0.71 H new ATOM 1121 N LYS A 80 -4.505 5.641 3.016 1.00 0.58 N ATOM 1122 CA LYS A 80 -3.168 5.814 2.473 1.00 0.62 C ATOM 1123 C LYS A 80 -2.366 4.527 2.685 1.00 0.60 C ATOM 1124 O LYS A 80 -2.058 4.165 3.819 1.00 0.70 O ATOM 1125 CB LYS A 80 -2.504 7.058 3.067 1.00 0.74 C ATOM 1126 CG LYS A 80 -1.025 7.127 2.681 1.00 1.31 C ATOM 1127 CD LYS A 80 -0.141 7.297 3.919 1.00 1.97 C ATOM 1128 CE LYS A 80 0.666 8.593 3.842 1.00 2.11 C ATOM 1129 NZ LYS A 80 1.006 9.074 5.199 1.00 2.46 N ATOM 0 H LYS A 80 -4.548 5.101 3.880 1.00 0.58 H new ATOM 0 HA LYS A 80 -3.213 5.989 1.398 1.00 0.62 H new ATOM 0 HB2 LYS A 80 -3.018 7.952 2.714 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -2.600 7.043 4.153 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -0.742 6.218 2.150 1.00 1.31 H new ATOM 0 HG3 LYS A 80 -0.863 7.960 1.997 1.00 1.31 H new ATOM 0 HD2 LYS A 80 -0.761 7.303 4.815 1.00 1.97 H new ATOM 0 HD3 LYS A 80 0.536 6.447 4.006 1.00 1.97 H new ATOM 0 HE2 LYS A 80 1.579 8.426 3.270 1.00 2.11 H new ATOM 0 HE3 LYS A 80 0.093 9.354 3.313 1.00 2.11 H new ATOM 0 HZ1 LYS A 80 1.554 9.955 5.128 1.00 2.46 H new ATOM 0 HZ2 LYS A 80 0.132 9.252 5.733 1.00 2.46 H new ATOM 0 HZ3 LYS A 80 1.572 8.353 5.691 1.00 2.46 H new ATOM 1143 N VAL A 81 -2.053 3.874 1.577 1.00 0.52 N ATOM 1144 CA VAL A 81 -1.293 2.636 1.627 1.00 0.51 C ATOM 1145 C VAL A 81 0.202 2.961 1.676 1.00 0.53 C ATOM 1146 O VAL A 81 0.756 3.491 0.715 1.00 0.61 O ATOM 1147 CB VAL A 81 -1.671 1.741 0.446 1.00 0.50 C ATOM 1148 CG1 VAL A 81 -0.980 0.380 0.545 1.00 0.52 C ATOM 1149 CG2 VAL A 81 -3.189 1.579 0.344 1.00 0.56 C ATOM 0 H VAL A 81 -2.311 4.178 0.638 1.00 0.52 H new ATOM 0 HA VAL A 81 -1.534 2.077 2.531 1.00 0.51 H new ATOM 0 HB VAL A 81 -1.324 2.227 -0.466 1.00 0.50 H new ATOM 0 HG11 VAL A 81 -1.266 -0.236 -0.307 1.00 0.52 H new ATOM 0 HG12 VAL A 81 0.101 0.520 0.545 1.00 0.52 H new ATOM 0 HG13 VAL A 81 -1.282 -0.115 1.468 1.00 0.52 H new ATOM 0 HG21 VAL A 81 -3.430 0.938 -0.504 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -3.569 1.127 1.260 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -3.651 2.556 0.203 1.00 0.56 H new ATOM 1159 N ASP A 82 0.810 2.630 2.806 1.00 0.54 N ATOM 1160 CA ASP A 82 2.229 2.880 2.992 1.00 0.57 C ATOM 1161 C ASP A 82 3.010 1.594 2.716 1.00 0.56 C ATOM 1162 O ASP A 82 2.732 0.554 3.311 1.00 0.58 O ATOM 1163 CB ASP A 82 2.527 3.315 4.429 1.00 0.65 C ATOM 1164 CG ASP A 82 1.895 4.644 4.847 1.00 0.99 C ATOM 1165 OD1 ASP A 82 0.688 4.556 5.295 1.00 1.35 O ATOM 1166 OD2 ASP A 82 2.524 5.708 4.750 1.00 2.35 O ATOM 0 H ASP A 82 0.346 2.191 3.601 1.00 0.54 H new ATOM 0 HA ASP A 82 2.525 3.673 2.306 1.00 0.57 H new ATOM 0 HB2 ASP A 82 2.180 2.536 5.108 1.00 0.65 H new ATOM 0 HB3 ASP A 82 3.607 3.389 4.554 1.00 0.65 H new ATOM 1171 N TRP A 83 3.972 1.707 1.811 1.00 0.60 N ATOM 1172 CA TRP A 83 4.795 0.566 1.448 1.00 0.64 C ATOM 1173 C TRP A 83 6.253 0.923 1.743 1.00 0.68 C ATOM 1174 O TRP A 83 6.641 2.087 1.656 1.00 0.70 O ATOM 1175 CB TRP A 83 4.560 0.162 -0.008 1.00 0.63 C ATOM 1176 CG TRP A 83 4.574 1.336 -0.989 1.00 0.48 C ATOM 1177 CD1 TRP A 83 3.526 1.965 -1.539 1.00 0.42 C ATOM 1178 CD2 TRP A 83 5.742 2.000 -1.518 1.00 0.48 C ATOM 1179 NE1 TRP A 83 3.931 2.982 -2.380 1.00 0.38 N ATOM 1180 CE2 TRP A 83 5.320 3.003 -2.367 1.00 0.42 C ATOM 1181 CE3 TRP A 83 7.107 1.761 -1.287 1.00 0.61 C ATOM 1182 CZ2 TRP A 83 6.201 3.848 -3.053 1.00 0.50 C ATOM 1183 CZ3 TRP A 83 7.976 2.614 -1.980 1.00 0.67 C ATOM 1184 CH2 TRP A 83 7.568 3.628 -2.838 1.00 0.62 C ATOM 0 H TRP A 83 4.199 2.571 1.319 1.00 0.60 H new ATOM 0 HA TRP A 83 4.525 -0.309 2.039 1.00 0.64 H new ATOM 0 HB2 TRP A 83 5.326 -0.555 -0.304 1.00 0.63 H new ATOM 0 HB3 TRP A 83 3.600 -0.349 -0.082 1.00 0.63 H new ATOM 0 HD1 TRP A 83 2.494 1.708 -1.348 1.00 0.42 H new ATOM 0 HE1 TRP A 83 3.323 3.604 -2.913 1.00 0.38 H new ATOM 0 HE3 TRP A 83 7.459 0.981 -0.627 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 5.846 4.627 -3.712 1.00 0.50 H new ATOM 0 HZ3 TRP A 83 9.037 2.474 -1.837 1.00 0.67 H new ATOM 0 HH2 TRP A 83 8.301 4.244 -3.337 1.00 0.62 H new ATOM 1195 N ARG A 84 7.022 -0.101 2.085 1.00 0.77 N ATOM 1196 CA ARG A 84 8.429 0.090 2.393 1.00 0.83 C ATOM 1197 C ARG A 84 9.253 -1.081 1.855 1.00 0.89 C ATOM 1198 O ARG A 84 8.990 -2.236 2.189 1.00 1.03 O ATOM 1199 CB ARG A 84 8.652 0.210 3.902 1.00 0.97 C ATOM 1200 CG ARG A 84 8.121 1.544 4.430 1.00 0.92 C ATOM 1201 CD ARG A 84 8.518 1.752 5.893 1.00 1.76 C ATOM 1202 NE ARG A 84 7.382 2.326 6.648 1.00 1.69 N ATOM 1203 CZ ARG A 84 6.231 1.666 6.901 1.00 2.11 C ATOM 1204 NH1 ARG A 84 6.053 0.403 6.458 1.00 2.69 N ATOM 1205 NH2 ARG A 84 5.281 2.276 7.587 1.00 3.14 N ATOM 0 H ARG A 84 6.697 -1.065 2.155 1.00 0.77 H new ATOM 0 HA ARG A 84 8.750 1.016 1.915 1.00 0.83 H new ATOM 0 HB2 ARG A 84 8.152 -0.613 4.414 1.00 0.97 H new ATOM 0 HB3 ARG A 84 9.716 0.124 4.124 1.00 0.97 H new ATOM 0 HG2 ARG A 84 8.512 2.361 3.824 1.00 0.92 H new ATOM 0 HG3 ARG A 84 7.035 1.570 4.337 1.00 0.92 H new ATOM 0 HD2 ARG A 84 8.817 0.802 6.336 1.00 1.76 H new ATOM 0 HD3 ARG A 84 9.379 2.417 5.954 1.00 1.76 H new ATOM 0 HE ARG A 84 7.474 3.279 6.999 1.00 1.69 H new ATOM 0 HH11 ARG A 84 6.791 -0.060 5.928 1.00 2.69 H new ATOM 0 HH12 ARG A 84 5.181 -0.088 6.654 1.00 2.69 H new ATOM 0 HH21 ARG A 84 5.423 3.231 7.917 1.00 3.14 H new ATOM 0 HH22 ARG A 84 4.406 1.792 7.787 1.00 3.14 H new ATOM 1219 N ALA A 85 10.234 -0.744 1.031 1.00 0.89 N ATOM 1220 CA ALA A 85 11.099 -1.753 0.443 1.00 1.00 C ATOM 1221 C ALA A 85 12.547 -1.478 0.851 1.00 1.06 C ATOM 1222 O ALA A 85 13.096 -0.422 0.537 1.00 1.13 O ATOM 1223 CB ALA A 85 10.913 -1.762 -1.076 1.00 0.97 C ATOM 0 H ALA A 85 10.449 0.214 0.756 1.00 0.89 H new ATOM 0 HA ALA A 85 10.836 -2.745 0.810 1.00 1.00 H new ATOM 0 HB1 ALA A 85 11.562 -2.519 -1.518 1.00 0.97 H new ATOM 0 HB2 ALA A 85 9.874 -1.991 -1.314 1.00 0.97 H new ATOM 0 HB3 ALA A 85 11.171 -0.783 -1.480 1.00 0.97 H new ATOM 1229 N VAL A 86 13.126 -2.446 1.547 1.00 1.63 N ATOM 1230 CA VAL A 86 14.501 -2.321 2.002 1.00 1.77 C ATOM 1231 C VAL A 86 15.418 -3.103 1.060 1.00 1.86 C ATOM 1232 O VAL A 86 15.528 -4.324 1.168 1.00 2.60 O ATOM 1233 CB VAL A 86 14.612 -2.774 3.459 1.00 2.23 C ATOM 1234 CG1 VAL A 86 16.040 -2.599 3.979 1.00 3.52 C ATOM 1235 CG2 VAL A 86 13.611 -2.028 4.343 1.00 2.64 C ATOM 0 H VAL A 86 12.668 -3.320 1.807 1.00 1.63 H new ATOM 0 HA VAL A 86 14.820 -1.279 1.975 1.00 1.77 H new ATOM 0 HB VAL A 86 14.368 -3.836 3.500 1.00 2.23 H new ATOM 0 HG11 VAL A 86 16.092 -2.928 5.017 1.00 3.52 H new ATOM 0 HG12 VAL A 86 16.723 -3.196 3.374 1.00 3.52 H new ATOM 0 HG13 VAL A 86 16.324 -1.548 3.917 1.00 3.52 H new ATOM 0 HG21 VAL A 86 13.711 -2.369 5.373 1.00 2.64 H new ATOM 0 HG22 VAL A 86 13.810 -0.957 4.294 1.00 2.64 H new ATOM 0 HG23 VAL A 86 12.598 -2.225 3.992 1.00 2.64 H new ATOM 1245 N SER A 87 16.053 -2.369 0.159 1.00 1.68 N ATOM 1246 CA SER A 87 16.957 -2.979 -0.802 1.00 1.86 C ATOM 1247 C SER A 87 18.250 -3.408 -0.103 1.00 1.91 C ATOM 1248 O SER A 87 19.099 -2.574 0.205 1.00 3.24 O ATOM 1249 CB SER A 87 17.269 -2.019 -1.951 1.00 2.32 C ATOM 1250 OG SER A 87 17.939 -0.845 -1.500 1.00 3.64 O ATOM 0 H SER A 87 15.960 -1.357 0.074 1.00 1.68 H new ATOM 0 HA SER A 87 16.468 -3.858 -1.222 1.00 1.86 H new ATOM 0 HB2 SER A 87 17.888 -2.528 -2.690 1.00 2.32 H new ATOM 0 HB3 SER A 87 16.342 -1.738 -2.450 1.00 2.32 H new ATOM 0 HG SER A 87 18.548 -1.077 -0.768 1.00 3.64 H new ATOM 1256 N SER A 88 18.357 -4.709 0.126 1.00 1.68 N ATOM 1257 CA SER A 88 19.531 -5.259 0.781 1.00 1.93 C ATOM 1258 C SER A 88 19.973 -4.339 1.921 1.00 2.19 C ATOM 1259 O SER A 88 21.135 -3.941 1.988 1.00 3.00 O ATOM 1260 CB SER A 88 20.675 -5.459 -0.214 1.00 2.38 C ATOM 1261 OG SER A 88 21.588 -6.464 0.217 1.00 3.02 O ATOM 0 H SER A 88 17.650 -5.398 -0.131 1.00 1.68 H new ATOM 0 HA SER A 88 19.268 -6.234 1.191 1.00 1.93 H new ATOM 0 HB2 SER A 88 20.266 -5.734 -1.186 1.00 2.38 H new ATOM 0 HB3 SER A 88 21.208 -4.518 -0.347 1.00 2.38 H new ATOM 0 HG SER A 88 22.303 -6.563 -0.446 1.00 3.02 H new ATOM 1267 N ASP A 89 19.023 -4.026 2.790 1.00 2.96 N ATOM 1268 CA ASP A 89 19.300 -3.160 3.923 1.00 3.65 C ATOM 1269 C ASP A 89 19.842 -1.822 3.417 1.00 2.66 C ATOM 1270 O ASP A 89 20.223 -1.704 2.253 1.00 2.95 O ATOM 1271 CB ASP A 89 20.353 -3.779 4.845 1.00 4.93 C ATOM 1272 CG ASP A 89 19.818 -4.297 6.181 1.00 6.78 C ATOM 1273 OD1 ASP A 89 18.839 -3.696 6.672 1.00 7.82 O ATOM 1274 OD2 ASP A 89 20.401 -5.284 6.682 1.00 7.65 O ATOM 0 H ASP A 89 18.060 -4.357 2.732 1.00 2.96 H new ATOM 0 HA ASP A 89 18.371 -3.023 4.477 1.00 3.65 H new ATOM 0 HB2 ASP A 89 20.835 -4.603 4.319 1.00 4.93 H new ATOM 0 HB3 ASP A 89 21.123 -3.034 5.044 1.00 4.93 H new ATOM 1279 N THR A 90 19.861 -0.849 4.315 1.00 2.80 N ATOM 1280 CA THR A 90 20.350 0.476 3.974 1.00 2.56 C ATOM 1281 C THR A 90 19.490 1.094 2.868 1.00 2.15 C ATOM 1282 O THR A 90 18.858 0.376 2.095 1.00 2.92 O ATOM 1283 CB THR A 90 21.827 0.351 3.596 1.00 3.32 C ATOM 1284 OG1 THR A 90 22.444 -0.163 4.773 1.00 3.98 O ATOM 1285 CG2 THR A 90 22.495 1.711 3.389 1.00 4.23 C ATOM 0 H THR A 90 19.545 -0.952 5.279 1.00 2.80 H new ATOM 0 HA THR A 90 20.272 1.157 4.822 1.00 2.56 H new ATOM 0 HB THR A 90 21.920 -0.241 2.686 1.00 3.32 H new ATOM 0 HG1 THR A 90 23.405 -0.277 4.616 1.00 3.98 H new ATOM 0 HG21 THR A 90 23.542 1.565 3.123 1.00 4.23 H new ATOM 0 HG22 THR A 90 21.988 2.247 2.587 1.00 4.23 H new ATOM 0 HG23 THR A 90 22.432 2.291 4.310 1.00 4.23 H new ATOM 1293 N HIS A 91 19.496 2.418 2.829 1.00 2.38 N ATOM 1294 CA HIS A 91 18.724 3.140 1.832 1.00 2.72 C ATOM 1295 C HIS A 91 17.308 2.565 1.763 1.00 1.97 C ATOM 1296 O HIS A 91 16.970 1.851 0.820 1.00 1.74 O ATOM 1297 CB HIS A 91 19.437 3.125 0.478 1.00 3.60 C ATOM 1298 CG HIS A 91 20.320 4.326 0.235 1.00 4.42 C ATOM 1299 ND1 HIS A 91 21.697 4.281 0.359 1.00 5.33 N ATOM 1300 CD2 HIS A 91 20.007 5.603 -0.126 1.00 5.13 C ATOM 1301 CE1 HIS A 91 22.182 5.484 0.084 1.00 6.19 C ATOM 1302 NE2 HIS A 91 21.132 6.302 -0.217 1.00 6.01 N ATOM 0 H HIS A 91 20.023 3.010 3.471 1.00 2.38 H new ATOM 0 HA HIS A 91 18.639 4.187 2.121 1.00 2.72 H new ATOM 0 HB2 HIS A 91 20.043 2.222 0.408 1.00 3.60 H new ATOM 0 HB3 HIS A 91 18.690 3.070 -0.314 1.00 3.60 H new ATOM 0 HD2 HIS A 91 19.012 5.982 -0.307 1.00 5.13 H new ATOM 0 HE1 HIS A 91 23.224 5.767 0.096 1.00 6.19 H new ATOM 0 HE2 HIS A 91 21.200 7.288 -0.470 1.00 6.01 H new ATOM 1310 N PRO A 92 16.499 2.906 2.800 1.00 2.00 N ATOM 1311 CA PRO A 92 15.126 2.431 2.866 1.00 1.63 C ATOM 1312 C PRO A 92 14.237 3.188 1.877 1.00 1.39 C ATOM 1313 O PRO A 92 14.111 4.409 1.958 1.00 1.62 O ATOM 1314 CB PRO A 92 14.709 2.633 4.314 1.00 2.36 C ATOM 1315 CG PRO A 92 15.694 3.635 4.896 1.00 2.99 C ATOM 1316 CD PRO A 92 16.865 3.750 3.934 1.00 2.80 C ATOM 0 HA PRO A 92 15.029 1.384 2.580 1.00 1.63 H new ATOM 0 HB2 PRO A 92 13.687 3.008 4.378 1.00 2.36 H new ATOM 0 HB3 PRO A 92 14.738 1.692 4.864 1.00 2.36 H new ATOM 0 HG2 PRO A 92 15.216 4.605 5.033 1.00 2.99 H new ATOM 0 HG3 PRO A 92 16.037 3.307 5.877 1.00 2.99 H new ATOM 0 HD2 PRO A 92 17.022 4.783 3.624 1.00 2.80 H new ATOM 0 HD3 PRO A 92 17.792 3.411 4.397 1.00 2.80 H new ATOM 1324 N ILE A 93 13.642 2.431 0.967 1.00 1.19 N ATOM 1325 CA ILE A 93 12.768 3.014 -0.037 1.00 1.16 C ATOM 1326 C ILE A 93 11.316 2.907 0.434 1.00 1.10 C ATOM 1327 O ILE A 93 10.665 1.886 0.219 1.00 1.33 O ATOM 1328 CB ILE A 93 13.020 2.376 -1.404 1.00 1.14 C ATOM 1329 CG1 ILE A 93 14.520 2.233 -1.674 1.00 1.66 C ATOM 1330 CG2 ILE A 93 12.309 3.155 -2.513 1.00 1.73 C ATOM 1331 CD1 ILE A 93 15.232 3.582 -1.538 1.00 2.78 C ATOM 0 H ILE A 93 13.748 1.418 0.904 1.00 1.19 H new ATOM 0 HA ILE A 93 12.986 4.075 -0.162 1.00 1.16 H new ATOM 0 HB ILE A 93 12.597 1.371 -1.395 1.00 1.14 H new ATOM 0 HG12 ILE A 93 14.953 1.517 -0.975 1.00 1.66 H new ATOM 0 HG13 ILE A 93 14.677 1.834 -2.676 1.00 1.66 H new ATOM 0 HG21 ILE A 93 12.505 2.680 -3.474 1.00 1.73 H new ATOM 0 HG22 ILE A 93 11.236 3.161 -2.323 1.00 1.73 H new ATOM 0 HG23 ILE A 93 12.679 4.180 -2.533 1.00 1.73 H new ATOM 0 HD11 ILE A 93 16.296 3.453 -1.735 1.00 2.78 H new ATOM 0 HD12 ILE A 93 14.813 4.288 -2.255 1.00 2.78 H new ATOM 0 HD13 ILE A 93 15.094 3.966 -0.527 1.00 2.78 H new ATOM 1343 N THR A 94 10.852 3.975 1.066 1.00 0.91 N ATOM 1344 CA THR A 94 9.489 4.013 1.568 1.00 0.86 C ATOM 1345 C THR A 94 8.607 4.863 0.653 1.00 0.79 C ATOM 1346 O THR A 94 9.111 5.676 -0.121 1.00 0.88 O ATOM 1347 CB THR A 94 9.532 4.518 3.013 1.00 0.85 C ATOM 1348 OG1 THR A 94 9.995 5.860 2.897 1.00 0.80 O ATOM 1349 CG2 THR A 94 10.609 3.822 3.845 1.00 1.06 C ATOM 0 H THR A 94 11.395 4.820 1.242 1.00 0.91 H new ATOM 0 HA THR A 94 9.039 3.020 1.568 1.00 0.86 H new ATOM 0 HB THR A 94 8.559 4.365 3.480 1.00 0.85 H new ATOM 0 HG1 THR A 94 10.051 6.265 3.788 1.00 0.80 H new ATOM 0 HG21 THR A 94 10.596 4.217 4.861 1.00 1.06 H new ATOM 0 HG22 THR A 94 10.413 2.750 3.870 1.00 1.06 H new ATOM 0 HG23 THR A 94 11.587 4.002 3.398 1.00 1.06 H new ATOM 1357 N GLY A 95 7.305 4.648 0.772 1.00 0.70 N ATOM 1358 CA GLY A 95 6.348 5.385 -0.036 1.00 0.67 C ATOM 1359 C GLY A 95 4.918 5.142 0.450 1.00 0.61 C ATOM 1360 O GLY A 95 4.659 4.179 1.171 1.00 0.65 O ATOM 0 H GLY A 95 6.890 3.974 1.416 1.00 0.70 H new ATOM 0 HA2 GLY A 95 6.574 6.450 0.007 1.00 0.67 H new ATOM 0 HA3 GLY A 95 6.438 5.082 -1.079 1.00 0.67 H new ATOM 1364 N SER A 96 4.026 6.030 0.036 1.00 0.57 N ATOM 1365 CA SER A 96 2.629 5.924 0.420 1.00 0.55 C ATOM 1366 C SER A 96 1.732 6.256 -0.773 1.00 0.48 C ATOM 1367 O SER A 96 2.152 6.954 -1.695 1.00 0.55 O ATOM 1368 CB SER A 96 2.310 6.846 1.598 1.00 0.65 C ATOM 1369 OG SER A 96 3.454 7.087 2.413 1.00 0.73 O ATOM 0 H SER A 96 4.244 6.827 -0.562 1.00 0.57 H new ATOM 0 HA SER A 96 2.438 4.898 0.735 1.00 0.55 H new ATOM 0 HB2 SER A 96 1.926 7.795 1.222 1.00 0.65 H new ATOM 0 HB3 SER A 96 1.521 6.400 2.204 1.00 0.65 H new ATOM 0 HG SER A 96 3.315 6.690 3.298 1.00 0.73 H new ATOM 1375 N VAL A 97 0.511 5.742 -0.716 1.00 0.43 N ATOM 1376 CA VAL A 97 -0.449 5.977 -1.782 1.00 0.37 C ATOM 1377 C VAL A 97 -1.811 6.310 -1.170 1.00 0.37 C ATOM 1378 O VAL A 97 -2.473 5.438 -0.609 1.00 0.37 O ATOM 1379 CB VAL A 97 -0.495 4.768 -2.720 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.316 5.080 -3.973 1.00 0.40 C ATOM 1381 CG2 VAL A 97 0.917 4.308 -3.090 1.00 0.40 C ATOM 0 H VAL A 97 0.165 5.165 0.051 1.00 0.43 H new ATOM 0 HA VAL A 97 -0.146 6.831 -2.388 1.00 0.37 H new ATOM 0 HB VAL A 97 -0.986 3.951 -2.192 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.334 4.206 -4.623 1.00 0.40 H new ATOM 0 HG12 VAL A 97 -2.335 5.339 -3.685 1.00 0.40 H new ATOM 0 HG13 VAL A 97 -0.865 5.918 -4.504 1.00 0.40 H new ATOM 0 HG21 VAL A 97 0.856 3.448 -3.757 1.00 0.40 H new ATOM 0 HG22 VAL A 97 1.444 5.120 -3.591 1.00 0.40 H new ATOM 0 HG23 VAL A 97 1.457 4.028 -2.186 1.00 0.40 H new ATOM 1391 N THR A 98 -2.188 7.573 -1.298 1.00 0.43 N ATOM 1392 CA THR A 98 -3.460 8.033 -0.764 1.00 0.43 C ATOM 1393 C THR A 98 -4.549 7.949 -1.836 1.00 0.41 C ATOM 1394 O THR A 98 -4.339 8.365 -2.974 1.00 0.44 O ATOM 1395 CB THR A 98 -3.258 9.445 -0.212 1.00 0.48 C ATOM 1396 OG1 THR A 98 -4.435 9.691 0.552 1.00 0.54 O ATOM 1397 CG2 THR A 98 -3.295 10.513 -1.307 1.00 0.51 C ATOM 0 H THR A 98 -1.636 8.293 -1.764 1.00 0.43 H new ATOM 0 HA THR A 98 -3.801 7.396 0.052 1.00 0.43 H new ATOM 0 HB THR A 98 -2.304 9.496 0.313 1.00 0.48 H new ATOM 0 HG1 THR A 98 -4.902 8.845 0.714 1.00 0.54 H new ATOM 0 HG21 THR A 98 -3.147 11.497 -0.861 1.00 0.51 H new ATOM 0 HG22 THR A 98 -2.503 10.320 -2.031 1.00 0.51 H new ATOM 0 HG23 THR A 98 -4.261 10.485 -1.810 1.00 0.51 H new ATOM 1405 N PHE A 99 -5.690 7.408 -1.432 1.00 0.42 N ATOM 1406 CA PHE A 99 -6.812 7.265 -2.344 1.00 0.42 C ATOM 1407 C PHE A 99 -8.137 7.536 -1.628 1.00 0.43 C ATOM 1408 O PHE A 99 -8.203 7.494 -0.400 1.00 0.48 O ATOM 1409 CB PHE A 99 -6.801 5.819 -2.843 1.00 0.36 C ATOM 1410 CG PHE A 99 -7.239 4.795 -1.793 1.00 0.32 C ATOM 1411 CD1 PHE A 99 -8.540 4.744 -1.395 1.00 1.74 C ATOM 1412 CD2 PHE A 99 -6.331 3.937 -1.258 1.00 1.74 C ATOM 1413 CE1 PHE A 99 -8.947 3.795 -0.421 1.00 1.77 C ATOM 1414 CE2 PHE A 99 -6.738 2.987 -0.285 1.00 1.71 C ATOM 1415 CZ PHE A 99 -8.036 2.936 0.114 1.00 0.32 C ATOM 0 H PHE A 99 -5.861 7.064 -0.487 1.00 0.42 H new ATOM 0 HA PHE A 99 -6.720 7.978 -3.163 1.00 0.42 H new ATOM 0 HB2 PHE A 99 -7.458 5.739 -3.709 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -5.795 5.570 -3.181 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -9.262 5.425 -1.820 1.00 1.74 H new ATOM 0 HD2 PHE A 99 -5.299 3.978 -1.573 1.00 1.74 H new ATOM 0 HE1 PHE A 99 -9.979 3.754 -0.104 1.00 1.77 H new ATOM 0 HE2 PHE A 99 -6.016 2.305 0.138 1.00 1.71 H new ATOM 0 HZ PHE A 99 -8.345 2.214 0.855 1.00 0.32 H new ATOM 1425 N LYS A 100 -9.160 7.806 -2.426 1.00 0.52 N ATOM 1426 CA LYS A 100 -10.479 8.083 -1.884 1.00 0.53 C ATOM 1427 C LYS A 100 -11.430 6.946 -2.261 1.00 0.50 C ATOM 1428 O LYS A 100 -11.179 6.214 -3.218 1.00 0.52 O ATOM 1429 CB LYS A 100 -10.963 9.464 -2.333 1.00 0.66 C ATOM 1430 CG LYS A 100 -10.256 10.574 -1.551 1.00 0.64 C ATOM 1431 CD LYS A 100 -9.443 11.470 -2.487 1.00 2.18 C ATOM 1432 CE LYS A 100 -8.608 12.476 -1.692 1.00 2.63 C ATOM 1433 NZ LYS A 100 -9.409 13.679 -1.374 1.00 2.71 N ATOM 0 H LYS A 100 -9.102 7.839 -3.444 1.00 0.52 H new ATOM 0 HA LYS A 100 -10.443 8.121 -0.795 1.00 0.53 H new ATOM 0 HB2 LYS A 100 -10.776 9.590 -3.399 1.00 0.66 H new ATOM 0 HB3 LYS A 100 -12.040 9.541 -2.187 1.00 0.66 H new ATOM 0 HG2 LYS A 100 -10.993 11.174 -1.017 1.00 0.64 H new ATOM 0 HG3 LYS A 100 -9.599 10.134 -0.801 1.00 0.64 H new ATOM 0 HD2 LYS A 100 -8.788 10.857 -3.106 1.00 2.18 H new ATOM 0 HD3 LYS A 100 -10.114 12.001 -3.162 1.00 2.18 H new ATOM 0 HE2 LYS A 100 -8.253 12.015 -0.771 1.00 2.63 H new ATOM 0 HE3 LYS A 100 -7.727 12.760 -2.267 1.00 2.63 H new ATOM 0 HZ1 LYS A 100 -8.827 14.351 -0.834 1.00 2.71 H new ATOM 0 HZ2 LYS A 100 -9.727 14.128 -2.257 1.00 2.71 H new ATOM 0 HZ3 LYS A 100 -10.237 13.405 -0.807 1.00 2.71 H new ATOM 1447 N VAL A 101 -12.502 6.833 -1.491 1.00 0.49 N ATOM 1448 CA VAL A 101 -13.491 5.797 -1.733 1.00 0.51 C ATOM 1449 C VAL A 101 -14.892 6.376 -1.524 1.00 0.56 C ATOM 1450 O VAL A 101 -15.220 6.837 -0.431 1.00 0.56 O ATOM 1451 CB VAL A 101 -13.207 4.584 -0.844 1.00 0.49 C ATOM 1452 CG1 VAL A 101 -14.479 3.768 -0.606 1.00 0.61 C ATOM 1453 CG2 VAL A 101 -12.101 3.713 -1.442 1.00 0.77 C ATOM 0 H VAL A 101 -12.707 7.442 -0.699 1.00 0.49 H new ATOM 0 HA VAL A 101 -13.434 5.448 -2.764 1.00 0.51 H new ATOM 0 HB VAL A 101 -12.859 4.951 0.122 1.00 0.49 H new ATOM 0 HG11 VAL A 101 -14.249 2.912 0.029 1.00 0.61 H new ATOM 0 HG12 VAL A 101 -15.226 4.393 -0.116 1.00 0.61 H new ATOM 0 HG13 VAL A 101 -14.870 3.417 -1.561 1.00 0.61 H new ATOM 0 HG21 VAL A 101 -11.919 2.858 -0.791 1.00 0.77 H new ATOM 0 HG22 VAL A 101 -12.408 3.360 -2.427 1.00 0.77 H new ATOM 0 HG23 VAL A 101 -11.187 4.299 -1.535 1.00 0.77 H new ATOM 1463 N LYS A 102 -15.680 6.336 -2.588 1.00 0.63 N ATOM 1464 CA LYS A 102 -17.037 6.851 -2.534 1.00 0.71 C ATOM 1465 C LYS A 102 -18.018 5.681 -2.425 1.00 0.88 C ATOM 1466 O LYS A 102 -19.048 5.792 -1.762 1.00 1.26 O ATOM 1467 CB LYS A 102 -17.308 7.772 -3.726 1.00 0.89 C ATOM 1468 CG LYS A 102 -16.158 8.760 -3.928 1.00 1.08 C ATOM 1469 CD LYS A 102 -16.209 9.882 -2.890 1.00 1.29 C ATOM 1470 CE LYS A 102 -17.042 11.061 -3.398 1.00 1.85 C ATOM 1471 NZ LYS A 102 -18.253 11.239 -2.566 1.00 2.78 N ATOM 1472 OXT LYS A 102 -17.719 4.673 -1.788 1.00 1.25 O ATOM 0 H LYS A 102 -15.404 5.955 -3.493 1.00 0.63 H new ATOM 0 HA LYS A 102 -17.176 7.468 -1.646 1.00 0.71 H new ATOM 0 HB2 LYS A 102 -17.442 7.175 -4.628 1.00 0.89 H new ATOM 0 HB3 LYS A 102 -18.237 8.318 -3.564 1.00 0.89 H new ATOM 0 HG2 LYS A 102 -15.206 8.235 -3.854 1.00 1.08 H new ATOM 0 HG3 LYS A 102 -16.211 9.185 -4.930 1.00 1.08 H new ATOM 0 HD2 LYS A 102 -16.636 9.504 -1.961 1.00 1.29 H new ATOM 0 HD3 LYS A 102 -15.197 10.218 -2.662 1.00 1.29 H new ATOM 0 HE2 LYS A 102 -16.443 11.972 -3.378 1.00 1.85 H new ATOM 0 HE3 LYS A 102 -17.329 10.891 -4.436 1.00 1.85 H new ATOM 0 HZ1 LYS A 102 -18.806 12.043 -2.925 1.00 2.78 H new ATOM 0 HZ2 LYS A 102 -18.832 10.376 -2.606 1.00 2.78 H new ATOM 0 HZ3 LYS A 102 -17.974 11.423 -1.581 1.00 2.78 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 19.040 1.718 -5.252 1.00 0.92 CU