USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 724 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 90 HIS :FLIP no HD1:sc= -2.55 F(o=-4.3!,f=-3.5) USER MOD Set 1.2: A 94 SER OG : rot -170:sc= -0.959 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= -7.06! C(o=-7.1!,f=-9.1!) USER MOD Set 3.1: A 9 SER OG : rot 89:sc= 0.298 USER MOD Set 3.2: A 42 ASN : amide:sc= -3.41! C(o=-3.1!,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00902 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00359 USER MOD Single : A 12 SER OG : rot -38:sc= 0.0249 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0378) USER MOD Single : A 28 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 120:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -159:sc= -1.03 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 56:sc= 0.243 USER MOD Single : A 43 MET CE :methyl -134:sc= -0.179 (180deg=-1.81) USER MOD Single : A 49 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.00014) USER MOD Single : A 52 THR OG1 : rot -144:sc= 0.0955 USER MOD Single : A 53 THR OG1 : rot -178:sc= 1.03 USER MOD Single : A 55 CYS SG : rot -23:sc= -0.325 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 168:sc= -0.335 (180deg=-0.716) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0914) USER MOD Single : A 62 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.65) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0214 F(o=-3.4!,f=-0.021) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -174:sc= -0.0688 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 11:sc= -0.0758 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0.492 K(o=0.49,f=-2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.764 22.354 0.185 1.00 0.00 N ATOM 2 CA GLY A 1 -10.711 20.921 -0.038 1.00 0.00 C ATOM 3 C GLY A 1 -9.292 20.413 -0.204 1.00 0.00 C ATOM 4 O GLY A 1 -8.670 19.965 0.759 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.755 22.652 0.292 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.236 22.591 1.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.340 22.847 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.182 20.408 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.289 20.673 -0.928 1.00 0.00 H new ATOM 8 N SER A 2 -8.781 20.480 -1.429 1.00 0.00 N ATOM 9 CA SER A 2 -7.429 20.017 -1.719 1.00 0.00 C ATOM 10 C SER A 2 -6.406 21.111 -1.430 1.00 0.00 C ATOM 11 O SER A 2 -6.296 22.085 -2.174 1.00 0.00 O ATOM 12 CB SER A 2 -7.321 19.575 -3.180 1.00 0.00 C ATOM 13 OG SER A 2 -6.219 18.704 -3.369 1.00 0.00 O ATOM 0 H SER A 2 -9.282 20.850 -2.236 1.00 0.00 H new ATOM 0 HA SER A 2 -7.217 19.166 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.241 19.073 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.211 20.450 -3.821 1.00 0.00 H new ATOM 0 HG SER A 2 -6.173 18.434 -4.310 1.00 0.00 H new ATOM 19 N SER A 3 -5.660 20.943 -0.342 1.00 0.00 N ATOM 20 CA SER A 3 -4.649 21.918 0.049 1.00 0.00 C ATOM 21 C SER A 3 -3.270 21.269 0.124 1.00 0.00 C ATOM 22 O SER A 3 -2.282 21.829 -0.348 1.00 0.00 O ATOM 23 CB SER A 3 -5.006 22.541 1.400 1.00 0.00 C ATOM 24 OG SER A 3 -5.087 21.552 2.412 1.00 0.00 O ATOM 0 H SER A 3 -5.737 20.141 0.284 1.00 0.00 H new ATOM 0 HA SER A 3 -4.623 22.701 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.255 23.283 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.959 23.065 1.322 1.00 0.00 H new ATOM 0 HG SER A 3 -5.315 21.976 3.266 1.00 0.00 H new ATOM 30 N GLY A 4 -3.213 20.083 0.723 1.00 0.00 N ATOM 31 CA GLY A 4 -1.951 19.377 0.850 1.00 0.00 C ATOM 32 C GLY A 4 -1.957 18.380 1.992 1.00 0.00 C ATOM 33 O GLY A 4 -3.008 18.085 2.562 1.00 0.00 O ATOM 0 H GLY A 4 -4.017 19.599 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.734 18.856 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.149 20.098 1.006 1.00 0.00 H new ATOM 37 N SER A 5 -0.781 17.859 2.327 1.00 0.00 N ATOM 38 CA SER A 5 -0.656 16.885 3.405 1.00 0.00 C ATOM 39 C SER A 5 0.496 17.250 4.336 1.00 0.00 C ATOM 40 O SER A 5 1.233 18.204 4.085 1.00 0.00 O ATOM 41 CB SER A 5 -0.439 15.483 2.832 1.00 0.00 C ATOM 42 OG SER A 5 0.795 15.400 2.142 1.00 0.00 O ATOM 0 H SER A 5 0.099 18.095 1.868 1.00 0.00 H new ATOM 0 HA SER A 5 -1.582 16.895 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.458 14.750 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.256 15.233 2.155 1.00 0.00 H new ATOM 0 HG SER A 5 0.911 14.494 1.787 1.00 0.00 H new ATOM 48 N SER A 6 0.646 16.484 5.411 1.00 0.00 N ATOM 49 CA SER A 6 1.706 16.728 6.383 1.00 0.00 C ATOM 50 C SER A 6 2.136 15.428 7.055 1.00 0.00 C ATOM 51 O SER A 6 1.379 14.830 7.818 1.00 0.00 O ATOM 52 CB SER A 6 1.238 17.731 7.439 1.00 0.00 C ATOM 53 OG SER A 6 2.337 18.413 8.017 1.00 0.00 O ATOM 0 H SER A 6 0.047 15.689 5.632 1.00 0.00 H new ATOM 0 HA SER A 6 2.563 17.143 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.557 18.451 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.679 17.211 8.217 1.00 0.00 H new ATOM 0 HG SER A 6 2.011 19.049 8.687 1.00 0.00 H new ATOM 59 N GLY A 7 3.360 14.996 6.765 1.00 0.00 N ATOM 60 CA GLY A 7 3.871 13.769 7.349 1.00 0.00 C ATOM 61 C GLY A 7 3.741 12.583 6.414 1.00 0.00 C ATOM 62 O GLY A 7 2.722 12.423 5.743 1.00 0.00 O ATOM 0 H GLY A 7 4.006 15.473 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.919 13.906 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.333 13.559 8.274 1.00 0.00 H new ATOM 66 N SER A 8 4.776 11.751 6.369 1.00 0.00 N ATOM 67 CA SER A 8 4.775 10.576 5.505 1.00 0.00 C ATOM 68 C SER A 8 3.599 9.661 5.834 1.00 0.00 C ATOM 69 O SER A 8 3.121 9.630 6.968 1.00 0.00 O ATOM 70 CB SER A 8 6.090 9.808 5.651 1.00 0.00 C ATOM 71 OG SER A 8 6.032 8.564 4.976 1.00 0.00 O ATOM 0 H SER A 8 5.626 11.868 6.920 1.00 0.00 H new ATOM 0 HA SER A 8 4.673 10.914 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.910 10.405 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.303 9.643 6.707 1.00 0.00 H new ATOM 0 HG SER A 8 6.885 8.094 5.083 1.00 0.00 H new ATOM 77 N SER A 9 3.139 8.916 4.834 1.00 0.00 N ATOM 78 CA SER A 9 2.017 8.002 5.014 1.00 0.00 C ATOM 79 C SER A 9 2.381 6.881 5.983 1.00 0.00 C ATOM 80 O SER A 9 3.475 6.321 5.919 1.00 0.00 O ATOM 81 CB SER A 9 1.592 7.411 3.669 1.00 0.00 C ATOM 82 OG SER A 9 1.576 8.404 2.658 1.00 0.00 O ATOM 0 H SER A 9 3.526 8.927 3.890 1.00 0.00 H new ATOM 0 HA SER A 9 1.184 8.566 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.277 6.611 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.602 6.965 3.761 1.00 0.00 H new ATOM 0 HG SER A 9 2.461 8.461 2.242 1.00 0.00 H new ATOM 88 N ASP A 10 1.455 6.560 6.879 1.00 0.00 N ATOM 89 CA ASP A 10 1.675 5.505 7.862 1.00 0.00 C ATOM 90 C ASP A 10 0.963 4.220 7.449 1.00 0.00 C ATOM 91 O ASP A 10 -0.079 4.259 6.797 1.00 0.00 O ATOM 92 CB ASP A 10 1.187 5.953 9.241 1.00 0.00 C ATOM 93 CG ASP A 10 1.950 5.287 10.369 1.00 0.00 C ATOM 94 OD1 ASP A 10 1.836 4.052 10.514 1.00 0.00 O ATOM 95 OD2 ASP A 10 2.661 6.001 11.107 1.00 0.00 O ATOM 0 H ASP A 10 0.545 7.015 6.945 1.00 0.00 H new ATOM 0 HA ASP A 10 2.746 5.306 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.290 7.035 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.126 5.725 9.340 1.00 0.00 H new ATOM 100 N ALA A 11 1.535 3.084 7.833 1.00 0.00 N ATOM 101 CA ALA A 11 0.955 1.788 7.503 1.00 0.00 C ATOM 102 C ALA A 11 0.038 1.297 8.619 1.00 0.00 C ATOM 103 O ALA A 11 -1.012 0.710 8.358 1.00 0.00 O ATOM 104 CB ALA A 11 2.054 0.770 7.236 1.00 0.00 C ATOM 0 H ALA A 11 2.399 3.035 8.373 1.00 0.00 H new ATOM 0 HA ALA A 11 0.356 1.905 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.606 -0.193 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.668 1.108 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.676 0.665 8.125 1.00 0.00 H new ATOM 110 N SER A 12 0.441 1.543 9.861 1.00 0.00 N ATOM 111 CA SER A 12 -0.343 1.122 11.016 1.00 0.00 C ATOM 112 C SER A 12 -1.759 1.688 10.947 1.00 0.00 C ATOM 113 O SER A 12 -2.655 1.239 11.663 1.00 0.00 O ATOM 114 CB SER A 12 0.335 1.572 12.311 1.00 0.00 C ATOM 115 OG SER A 12 -0.188 0.877 13.430 1.00 0.00 O ATOM 0 H SER A 12 1.306 2.032 10.093 1.00 0.00 H new ATOM 0 HA SER A 12 -0.404 0.034 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.409 1.399 12.242 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.192 2.644 12.446 1.00 0.00 H new ATOM 0 HG SER A 12 -1.154 0.758 13.318 1.00 0.00 H new ATOM 121 N LYS A 13 -1.952 2.676 10.081 1.00 0.00 N ATOM 122 CA LYS A 13 -3.258 3.304 9.915 1.00 0.00 C ATOM 123 C LYS A 13 -4.074 2.587 8.844 1.00 0.00 C ATOM 124 O LYS A 13 -5.299 2.502 8.937 1.00 0.00 O ATOM 125 CB LYS A 13 -3.093 4.779 9.543 1.00 0.00 C ATOM 126 CG LYS A 13 -2.252 5.566 10.534 1.00 0.00 C ATOM 127 CD LYS A 13 -2.896 5.598 11.910 1.00 0.00 C ATOM 128 CE LYS A 13 -4.143 6.469 11.922 1.00 0.00 C ATOM 129 NZ LYS A 13 -4.713 6.603 13.291 1.00 0.00 N ATOM 0 H LYS A 13 -1.221 3.060 9.483 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.792 3.232 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.635 4.847 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.078 5.239 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.260 5.120 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.118 6.585 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.156 4.584 12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.180 5.976 12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.899 7.457 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.892 6.039 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.561 7.204 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.969 5.663 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.007 7.036 13.920 1.00 0.00 H new ATOM 143 N VAL A 14 -3.388 2.072 7.829 1.00 0.00 N ATOM 144 CA VAL A 14 -4.050 1.360 6.742 1.00 0.00 C ATOM 145 C VAL A 14 -4.826 0.157 7.265 1.00 0.00 C ATOM 146 O VAL A 14 -4.355 -0.566 8.145 1.00 0.00 O ATOM 147 CB VAL A 14 -3.037 0.884 5.684 1.00 0.00 C ATOM 148 CG1 VAL A 14 -3.653 -0.188 4.799 1.00 0.00 C ATOM 149 CG2 VAL A 14 -2.546 2.058 4.851 1.00 0.00 C ATOM 0 H VAL A 14 -2.374 2.134 7.737 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.744 2.062 6.280 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.180 0.448 6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.922 -0.512 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.950 -1.039 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.529 0.218 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.831 1.704 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.392 2.525 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.063 2.788 5.500 1.00 0.00 H new ATOM 159 N THR A 15 -6.019 -0.055 6.718 1.00 0.00 N ATOM 160 CA THR A 15 -6.861 -1.171 7.130 1.00 0.00 C ATOM 161 C THR A 15 -7.282 -2.013 5.931 1.00 0.00 C ATOM 162 O THR A 15 -7.494 -1.491 4.837 1.00 0.00 O ATOM 163 CB THR A 15 -8.122 -0.681 7.867 1.00 0.00 C ATOM 164 OG1 THR A 15 -8.901 0.153 7.003 1.00 0.00 O ATOM 165 CG2 THR A 15 -7.749 0.090 9.124 1.00 0.00 C ATOM 0 H THR A 15 -6.424 0.532 5.988 1.00 0.00 H new ATOM 0 HA THR A 15 -6.267 -1.782 7.809 1.00 0.00 H new ATOM 0 HB THR A 15 -8.709 -1.553 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.702 0.459 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.656 0.426 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.181 -0.557 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.142 0.954 8.854 1.00 0.00 H new ATOM 173 N SER A 16 -7.402 -3.320 6.145 1.00 0.00 N ATOM 174 CA SER A 16 -7.795 -4.236 5.080 1.00 0.00 C ATOM 175 C SER A 16 -8.927 -5.149 5.540 1.00 0.00 C ATOM 176 O SER A 16 -8.932 -5.629 6.673 1.00 0.00 O ATOM 177 CB SER A 16 -6.596 -5.075 4.633 1.00 0.00 C ATOM 178 OG SER A 16 -6.164 -5.939 5.669 1.00 0.00 O ATOM 0 H SER A 16 -7.233 -3.768 7.046 1.00 0.00 H new ATOM 0 HA SER A 16 -8.150 -3.644 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.866 -5.662 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.778 -4.418 4.338 1.00 0.00 H new ATOM 0 HG SER A 16 -5.398 -6.465 5.358 1.00 0.00 H new ATOM 184 N LYS A 17 -9.886 -5.386 4.651 1.00 0.00 N ATOM 185 CA LYS A 17 -11.024 -6.242 4.962 1.00 0.00 C ATOM 186 C LYS A 17 -11.306 -7.210 3.816 1.00 0.00 C ATOM 187 O LYS A 17 -10.890 -6.981 2.681 1.00 0.00 O ATOM 188 CB LYS A 17 -12.265 -5.393 5.243 1.00 0.00 C ATOM 189 CG LYS A 17 -12.835 -4.720 4.006 1.00 0.00 C ATOM 190 CD LYS A 17 -12.214 -3.352 3.780 1.00 0.00 C ATOM 191 CE LYS A 17 -13.085 -2.486 2.882 1.00 0.00 C ATOM 192 NZ LYS A 17 -14.145 -1.779 3.652 1.00 0.00 N ATOM 0 H LYS A 17 -9.897 -4.997 3.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.778 -6.821 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.033 -6.024 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.013 -4.629 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.658 -5.350 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.915 -4.618 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.070 -2.854 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.228 -3.469 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.462 -1.755 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.547 -3.108 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.717 -1.200 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.756 -2.477 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.704 -1.166 4.367 1.00 0.00 H new ATOM 206 N GLY A 18 -12.016 -8.291 4.122 1.00 0.00 N ATOM 207 CA GLY A 18 -12.342 -9.276 3.108 1.00 0.00 C ATOM 208 C GLY A 18 -12.056 -10.694 3.563 1.00 0.00 C ATOM 209 O GLY A 18 -11.245 -10.913 4.462 1.00 0.00 O ATOM 0 H GLY A 18 -12.371 -8.502 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.396 -9.188 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.770 -9.065 2.204 1.00 0.00 H new ATOM 213 N ALA A 19 -12.726 -11.659 2.941 1.00 0.00 N ATOM 214 CA ALA A 19 -12.539 -13.063 3.287 1.00 0.00 C ATOM 215 C ALA A 19 -11.163 -13.557 2.855 1.00 0.00 C ATOM 216 O ALA A 19 -10.447 -14.188 3.631 1.00 0.00 O ATOM 217 CB ALA A 19 -13.630 -13.912 2.652 1.00 0.00 C ATOM 0 H ALA A 19 -13.403 -11.494 2.196 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.605 -13.156 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.478 -14.958 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.604 -13.583 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.590 -13.804 1.568 1.00 0.00 H new ATOM 223 N GLY A 20 -10.798 -13.265 1.610 1.00 0.00 N ATOM 224 CA GLY A 20 -9.509 -13.688 1.096 1.00 0.00 C ATOM 225 C GLY A 20 -8.400 -13.537 2.118 1.00 0.00 C ATOM 226 O GLY A 20 -7.479 -14.354 2.171 1.00 0.00 O ATOM 0 H GLY A 20 -11.373 -12.743 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.571 -14.730 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.265 -13.102 0.210 1.00 0.00 H new ATOM 230 N LEU A 21 -8.485 -12.490 2.931 1.00 0.00 N ATOM 231 CA LEU A 21 -7.479 -12.234 3.956 1.00 0.00 C ATOM 232 C LEU A 21 -7.571 -13.263 5.078 1.00 0.00 C ATOM 233 O LEU A 21 -6.554 -13.699 5.618 1.00 0.00 O ATOM 234 CB LEU A 21 -7.651 -10.824 4.526 1.00 0.00 C ATOM 235 CG LEU A 21 -7.551 -9.677 3.521 1.00 0.00 C ATOM 236 CD1 LEU A 21 -8.130 -8.400 4.109 1.00 0.00 C ATOM 237 CD2 LEU A 21 -6.104 -9.463 3.098 1.00 0.00 C ATOM 0 H LEU A 21 -9.240 -11.805 2.900 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.495 -12.315 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.623 -10.768 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.896 -10.671 5.298 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.132 -9.942 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.050 -7.594 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.179 -8.558 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.577 -8.130 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.052 -8.643 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.501 -9.220 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.722 -10.373 2.635 1.00 0.00 H new ATOM 249 N SER A 22 -8.795 -13.648 5.423 1.00 0.00 N ATOM 250 CA SER A 22 -9.020 -14.626 6.481 1.00 0.00 C ATOM 251 C SER A 22 -8.827 -16.046 5.959 1.00 0.00 C ATOM 252 O SER A 22 -8.022 -16.812 6.490 1.00 0.00 O ATOM 253 CB SER A 22 -10.428 -14.469 7.058 1.00 0.00 C ATOM 254 OG SER A 22 -10.598 -15.273 8.213 1.00 0.00 O ATOM 0 H SER A 22 -9.647 -13.297 4.985 1.00 0.00 H new ATOM 0 HA SER A 22 -8.290 -14.446 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.607 -13.424 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.166 -14.747 6.306 1.00 0.00 H new ATOM 0 HG SER A 22 -11.505 -15.154 8.564 1.00 0.00 H new ATOM 260 N LYS A 23 -9.571 -16.392 4.914 1.00 0.00 N ATOM 261 CA LYS A 23 -9.483 -17.719 4.317 1.00 0.00 C ATOM 262 C LYS A 23 -9.834 -17.673 2.834 1.00 0.00 C ATOM 263 O LYS A 23 -10.663 -16.870 2.408 1.00 0.00 O ATOM 264 CB LYS A 23 -10.417 -18.691 5.043 1.00 0.00 C ATOM 265 CG LYS A 23 -11.855 -18.209 5.120 1.00 0.00 C ATOM 266 CD LYS A 23 -12.745 -19.220 5.825 1.00 0.00 C ATOM 267 CE LYS A 23 -13.962 -18.553 6.446 1.00 0.00 C ATOM 268 NZ LYS A 23 -14.932 -18.096 5.412 1.00 0.00 N ATOM 0 H LYS A 23 -10.242 -15.771 4.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.455 -18.068 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.392 -19.654 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.043 -18.855 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.893 -17.257 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.234 -18.029 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.069 -19.980 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.174 -19.731 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.454 -19.252 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.643 -17.701 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.688 -17.543 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.441 -17.503 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.346 -18.922 4.935 1.00 0.00 H new ATOM 282 N ALA A 24 -9.200 -18.541 2.053 1.00 0.00 N ATOM 283 CA ALA A 24 -9.448 -18.601 0.618 1.00 0.00 C ATOM 284 C ALA A 24 -9.862 -20.005 0.190 1.00 0.00 C ATOM 285 O ALA A 24 -9.485 -20.993 0.821 1.00 0.00 O ATOM 286 CB ALA A 24 -8.213 -18.156 -0.151 1.00 0.00 C ATOM 0 H ALA A 24 -8.510 -19.213 2.390 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.269 -17.922 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.413 -18.206 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.963 -17.131 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.377 -18.811 0.093 1.00 0.00 H new ATOM 292 N PHE A 25 -10.641 -20.086 -0.884 1.00 0.00 N ATOM 293 CA PHE A 25 -11.108 -21.370 -1.394 1.00 0.00 C ATOM 294 C PHE A 25 -10.560 -21.630 -2.794 1.00 0.00 C ATOM 295 O PHE A 25 -10.629 -20.768 -3.670 1.00 0.00 O ATOM 296 CB PHE A 25 -12.637 -21.407 -1.418 1.00 0.00 C ATOM 297 CG PHE A 25 -13.268 -20.930 -0.141 1.00 0.00 C ATOM 298 CD1 PHE A 25 -13.167 -21.680 1.020 1.00 0.00 C ATOM 299 CD2 PHE A 25 -13.963 -19.732 -0.102 1.00 0.00 C ATOM 300 CE1 PHE A 25 -13.747 -21.243 2.197 1.00 0.00 C ATOM 301 CE2 PHE A 25 -14.544 -19.290 1.072 1.00 0.00 C ATOM 302 CZ PHE A 25 -14.437 -20.047 2.222 1.00 0.00 C ATOM 0 H PHE A 25 -10.962 -19.278 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 25 -10.743 -22.152 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.995 -20.791 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.965 -22.427 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.629 -22.616 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.052 -19.137 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.660 -21.836 3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.081 -18.353 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.892 -19.704 3.139 1.00 0.00 H new ATOM 312 N VAL A 26 -10.015 -22.826 -2.997 1.00 0.00 N ATOM 313 CA VAL A 26 -9.455 -23.201 -4.290 1.00 0.00 C ATOM 314 C VAL A 26 -10.431 -22.896 -5.421 1.00 0.00 C ATOM 315 O VAL A 26 -11.626 -23.168 -5.314 1.00 0.00 O ATOM 316 CB VAL A 26 -9.091 -24.697 -4.331 1.00 0.00 C ATOM 317 CG1 VAL A 26 -8.633 -25.098 -5.724 1.00 0.00 C ATOM 318 CG2 VAL A 26 -8.021 -25.013 -3.297 1.00 0.00 C ATOM 0 H VAL A 26 -9.950 -23.551 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.549 -22.610 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.982 -25.276 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.380 -26.158 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.434 -24.910 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.756 -24.514 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.776 -26.074 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.127 -24.425 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.392 -24.766 -2.302 1.00 0.00 H new ATOM 328 N GLY A 27 -9.912 -22.328 -6.506 1.00 0.00 N ATOM 329 CA GLY A 27 -10.751 -21.995 -7.642 1.00 0.00 C ATOM 330 C GLY A 27 -11.478 -20.678 -7.459 1.00 0.00 C ATOM 331 O GLY A 27 -11.461 -19.825 -8.346 1.00 0.00 O ATOM 0 H GLY A 27 -8.926 -22.093 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.137 -21.946 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.480 -22.790 -7.797 1.00 0.00 H new ATOM 335 N GLN A 28 -12.120 -20.512 -6.307 1.00 0.00 N ATOM 336 CA GLN A 28 -12.858 -19.289 -6.013 1.00 0.00 C ATOM 337 C GLN A 28 -11.928 -18.081 -6.005 1.00 0.00 C ATOM 338 O GLN A 28 -10.808 -18.148 -5.497 1.00 0.00 O ATOM 339 CB GLN A 28 -13.569 -19.409 -4.664 1.00 0.00 C ATOM 340 CG GLN A 28 -14.496 -20.610 -4.570 1.00 0.00 C ATOM 341 CD GLN A 28 -15.315 -20.617 -3.294 1.00 0.00 C ATOM 342 OE1 GLN A 28 -15.370 -21.621 -2.584 1.00 0.00 O ATOM 343 NE2 GLN A 28 -15.956 -19.493 -2.996 1.00 0.00 N ATOM 0 H GLN A 28 -12.144 -21.209 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.602 -19.146 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.822 -19.475 -3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.145 -18.501 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.168 -20.614 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.906 -21.525 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.882 -18.685 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.522 -19.438 -2.149 1.00 0.00 H new ATOM 352 N LYS A 29 -12.398 -16.975 -6.572 1.00 0.00 N ATOM 353 CA LYS A 29 -11.610 -15.749 -6.631 1.00 0.00 C ATOM 354 C LYS A 29 -11.827 -14.903 -5.380 1.00 0.00 C ATOM 355 O LYS A 29 -12.823 -14.188 -5.268 1.00 0.00 O ATOM 356 CB LYS A 29 -11.978 -14.941 -7.877 1.00 0.00 C ATOM 357 CG LYS A 29 -10.831 -14.106 -8.420 1.00 0.00 C ATOM 358 CD LYS A 29 -11.319 -13.076 -9.425 1.00 0.00 C ATOM 359 CE LYS A 29 -11.367 -13.651 -10.833 1.00 0.00 C ATOM 360 NZ LYS A 29 -10.080 -13.455 -11.556 1.00 0.00 N ATOM 0 H LYS A 29 -13.322 -16.902 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.557 -16.025 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.320 -15.624 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.815 -14.284 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.325 -13.601 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.097 -14.758 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.312 -12.728 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.660 -12.208 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.597 -14.715 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.174 -13.176 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.153 -13.860 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.873 -12.438 -11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.314 -13.929 -11.036 1.00 0.00 H new ATOM 374 N SER A 30 -10.888 -14.988 -4.443 1.00 0.00 N ATOM 375 CA SER A 30 -10.978 -14.231 -3.200 1.00 0.00 C ATOM 376 C SER A 30 -10.578 -12.775 -3.420 1.00 0.00 C ATOM 377 O SER A 30 -9.538 -12.488 -4.012 1.00 0.00 O ATOM 378 CB SER A 30 -10.085 -14.861 -2.129 1.00 0.00 C ATOM 379 OG SER A 30 -10.781 -15.862 -1.409 1.00 0.00 O ATOM 0 H SER A 30 -10.056 -15.573 -4.521 1.00 0.00 H new ATOM 0 HA SER A 30 -12.014 -14.258 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.201 -15.294 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.737 -14.090 -1.442 1.00 0.00 H new ATOM 0 HG SER A 30 -10.321 -16.721 -1.516 1.00 0.00 H new ATOM 385 N SER A 31 -11.413 -11.860 -2.938 1.00 0.00 N ATOM 386 CA SER A 31 -11.151 -10.433 -3.085 1.00 0.00 C ATOM 387 C SER A 31 -11.065 -9.754 -1.722 1.00 0.00 C ATOM 388 O SER A 31 -11.639 -10.228 -0.741 1.00 0.00 O ATOM 389 CB SER A 31 -12.246 -9.775 -3.927 1.00 0.00 C ATOM 390 OG SER A 31 -13.316 -9.329 -3.113 1.00 0.00 O ATOM 0 H SER A 31 -12.277 -12.081 -2.442 1.00 0.00 H new ATOM 0 HA SER A 31 -10.193 -10.315 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.828 -8.932 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.618 -10.486 -4.665 1.00 0.00 H new ATOM 0 HG SER A 31 -14.002 -8.911 -3.674 1.00 0.00 H new ATOM 396 N PHE A 32 -10.343 -8.639 -1.668 1.00 0.00 N ATOM 397 CA PHE A 32 -10.180 -7.893 -0.425 1.00 0.00 C ATOM 398 C PHE A 32 -9.818 -6.438 -0.707 1.00 0.00 C ATOM 399 O PHE A 32 -8.970 -6.150 -1.553 1.00 0.00 O ATOM 400 CB PHE A 32 -9.100 -8.540 0.444 1.00 0.00 C ATOM 401 CG PHE A 32 -7.747 -8.574 -0.207 1.00 0.00 C ATOM 402 CD1 PHE A 32 -7.381 -9.636 -1.018 1.00 0.00 C ATOM 403 CD2 PHE A 32 -6.842 -7.544 -0.010 1.00 0.00 C ATOM 404 CE1 PHE A 32 -6.136 -9.671 -1.618 1.00 0.00 C ATOM 405 CE2 PHE A 32 -5.596 -7.573 -0.608 1.00 0.00 C ATOM 406 CZ PHE A 32 -5.243 -8.637 -1.414 1.00 0.00 C ATOM 0 H PHE A 32 -9.862 -8.232 -2.470 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.129 -7.915 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.028 -7.995 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.403 -9.558 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.076 -10.446 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.113 -6.708 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.862 -10.506 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.899 -6.764 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.271 -8.661 -1.884 1.00 0.00 H new ATOM 416 N LEU A 33 -10.468 -5.524 0.006 1.00 0.00 N ATOM 417 CA LEU A 33 -10.216 -4.098 -0.168 1.00 0.00 C ATOM 418 C LEU A 33 -9.346 -3.557 0.963 1.00 0.00 C ATOM 419 O LEU A 33 -9.376 -4.070 2.082 1.00 0.00 O ATOM 420 CB LEU A 33 -11.537 -3.329 -0.222 1.00 0.00 C ATOM 421 CG LEU A 33 -11.475 -1.930 -0.835 1.00 0.00 C ATOM 422 CD1 LEU A 33 -11.382 -2.015 -2.351 1.00 0.00 C ATOM 423 CD2 LEU A 33 -12.688 -1.111 -0.419 1.00 0.00 C ATOM 0 H LEU A 33 -11.173 -5.745 0.709 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.684 -3.961 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.256 -3.921 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.925 -3.242 0.793 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.580 -1.431 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.339 -1.010 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.482 -2.563 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.258 -2.533 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.627 -0.118 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.596 -1.607 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.711 -1.020 0.667 1.00 0.00 H new ATOM 435 N VAL A 34 -8.574 -2.517 0.664 1.00 0.00 N ATOM 436 CA VAL A 34 -7.699 -1.904 1.656 1.00 0.00 C ATOM 437 C VAL A 34 -7.867 -0.389 1.675 1.00 0.00 C ATOM 438 O VAL A 34 -7.529 0.295 0.710 1.00 0.00 O ATOM 439 CB VAL A 34 -6.221 -2.243 1.385 1.00 0.00 C ATOM 440 CG1 VAL A 34 -5.334 -1.682 2.487 1.00 0.00 C ATOM 441 CG2 VAL A 34 -6.035 -3.747 1.254 1.00 0.00 C ATOM 0 H VAL A 34 -8.537 -2.081 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.985 -2.310 2.626 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.927 -1.780 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.293 -1.931 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.446 -0.599 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.626 -2.114 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.985 -3.968 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.346 -4.234 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.640 -4.118 0.427 1.00 0.00 H new ATOM 451 N ASP A 35 -8.390 0.128 2.782 1.00 0.00 N ATOM 452 CA ASP A 35 -8.601 1.563 2.928 1.00 0.00 C ATOM 453 C ASP A 35 -7.332 2.252 3.420 1.00 0.00 C ATOM 454 O ASP A 35 -6.876 2.010 4.538 1.00 0.00 O ATOM 455 CB ASP A 35 -9.752 1.834 3.899 1.00 0.00 C ATOM 456 CG ASP A 35 -10.142 3.299 3.940 1.00 0.00 C ATOM 457 OD1 ASP A 35 -9.994 3.982 2.905 1.00 0.00 O ATOM 458 OD2 ASP A 35 -10.596 3.762 5.007 1.00 0.00 O ATOM 0 H ASP A 35 -8.675 -0.425 3.590 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.857 1.969 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.617 1.239 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.464 1.509 4.899 1.00 0.00 H new ATOM 463 N CYS A 36 -6.766 3.110 2.578 1.00 0.00 N ATOM 464 CA CYS A 36 -5.548 3.832 2.926 1.00 0.00 C ATOM 465 C CYS A 36 -5.823 5.326 3.066 1.00 0.00 C ATOM 466 O CYS A 36 -4.901 6.142 3.044 1.00 0.00 O ATOM 467 CB CYS A 36 -4.470 3.597 1.867 1.00 0.00 C ATOM 468 SG CYS A 36 -3.904 1.883 1.758 1.00 0.00 S ATOM 0 H CYS A 36 -7.131 3.322 1.650 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.193 3.454 3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.858 3.903 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.615 4.237 2.085 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.731 1.848 1.199 1.00 0.00 H new ATOM 474 N SER A 37 -7.097 5.677 3.208 1.00 0.00 N ATOM 475 CA SER A 37 -7.494 7.073 3.345 1.00 0.00 C ATOM 476 C SER A 37 -6.792 7.723 4.534 1.00 0.00 C ATOM 477 O SER A 37 -6.013 8.663 4.372 1.00 0.00 O ATOM 478 CB SER A 37 -9.011 7.180 3.514 1.00 0.00 C ATOM 479 OG SER A 37 -9.436 8.531 3.462 1.00 0.00 O ATOM 0 H SER A 37 -7.872 5.014 3.231 1.00 0.00 H new ATOM 0 HA SER A 37 -7.198 7.600 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.509 6.609 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.306 6.739 4.466 1.00 0.00 H new ATOM 0 HG SER A 37 -10.409 8.572 3.571 1.00 0.00 H new ATOM 485 N LYS A 38 -7.074 7.216 5.729 1.00 0.00 N ATOM 486 CA LYS A 38 -6.471 7.745 6.947 1.00 0.00 C ATOM 487 C LYS A 38 -4.957 7.555 6.930 1.00 0.00 C ATOM 488 O LYS A 38 -4.235 8.185 7.702 1.00 0.00 O ATOM 489 CB LYS A 38 -7.069 7.057 8.176 1.00 0.00 C ATOM 490 CG LYS A 38 -6.847 5.555 8.202 1.00 0.00 C ATOM 491 CD LYS A 38 -7.797 4.867 9.167 1.00 0.00 C ATOM 492 CE LYS A 38 -9.130 4.551 8.507 1.00 0.00 C ATOM 493 NZ LYS A 38 -10.204 4.311 9.511 1.00 0.00 N ATOM 0 H LYS A 38 -7.717 6.439 5.880 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.685 8.813 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.635 7.495 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.140 7.258 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.987 5.148 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.817 5.344 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.343 3.946 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.962 5.506 10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.418 5.377 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.022 3.671 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.096 4.099 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.941 3.506 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.325 5.160 10.099 1.00 0.00 H new ATOM 507 N ALA A 39 -4.484 6.683 6.046 1.00 0.00 N ATOM 508 CA ALA A 39 -3.057 6.413 5.927 1.00 0.00 C ATOM 509 C ALA A 39 -2.296 7.663 5.497 1.00 0.00 C ATOM 510 O ALA A 39 -1.591 8.278 6.296 1.00 0.00 O ATOM 511 CB ALA A 39 -2.814 5.280 4.941 1.00 0.00 C ATOM 0 H ALA A 39 -5.069 6.151 5.401 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.687 6.112 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.744 5.089 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.318 4.379 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.206 5.559 3.963 1.00 0.00 H new ATOM 517 N GLY A 40 -2.443 8.033 4.228 1.00 0.00 N ATOM 518 CA GLY A 40 -1.763 9.207 3.715 1.00 0.00 C ATOM 519 C GLY A 40 -1.767 9.264 2.200 1.00 0.00 C ATOM 520 O GLY A 40 -2.805 9.067 1.568 1.00 0.00 O ATOM 0 H GLY A 40 -3.021 7.540 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.242 10.102 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.733 9.212 4.073 1.00 0.00 H new ATOM 524 N SER A 41 -0.604 9.535 1.616 1.00 0.00 N ATOM 525 CA SER A 41 -0.479 9.622 0.166 1.00 0.00 C ATOM 526 C SER A 41 0.675 8.757 -0.333 1.00 0.00 C ATOM 527 O SER A 41 1.648 9.262 -0.891 1.00 0.00 O ATOM 528 CB SER A 41 -0.264 11.075 -0.262 1.00 0.00 C ATOM 529 OG SER A 41 0.880 11.628 0.366 1.00 0.00 O ATOM 0 H SER A 41 0.265 9.698 2.125 1.00 0.00 H new ATOM 0 HA SER A 41 -1.404 9.253 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.148 11.125 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.144 11.666 -0.008 1.00 0.00 H new ATOM 0 HG SER A 41 1.663 11.073 0.167 1.00 0.00 H new ATOM 535 N ASN A 42 0.557 7.449 -0.127 1.00 0.00 N ATOM 536 CA ASN A 42 1.590 6.512 -0.555 1.00 0.00 C ATOM 537 C ASN A 42 1.026 5.496 -1.543 1.00 0.00 C ATOM 538 O ASN A 42 -0.157 5.532 -1.879 1.00 0.00 O ATOM 539 CB ASN A 42 2.184 5.788 0.655 1.00 0.00 C ATOM 540 CG ASN A 42 3.333 6.555 1.280 1.00 0.00 C ATOM 541 OD1 ASN A 42 3.535 7.735 0.994 1.00 0.00 O ATOM 542 ND2 ASN A 42 4.093 5.885 2.139 1.00 0.00 N ATOM 0 H ASN A 42 -0.243 7.014 0.333 1.00 0.00 H new ATOM 0 HA ASN A 42 2.377 7.079 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.405 5.634 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.533 4.801 0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.881 6.348 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.888 4.907 2.346 1.00 0.00 H new ATOM 549 N MET A 43 1.882 4.590 -2.005 1.00 0.00 N ATOM 550 CA MET A 43 1.470 3.562 -2.953 1.00 0.00 C ATOM 551 C MET A 43 1.182 2.246 -2.238 1.00 0.00 C ATOM 552 O MET A 43 1.752 1.963 -1.183 1.00 0.00 O ATOM 553 CB MET A 43 2.551 3.353 -4.015 1.00 0.00 C ATOM 554 CG MET A 43 3.843 2.774 -3.460 1.00 0.00 C ATOM 555 SD MET A 43 4.896 2.071 -4.744 1.00 0.00 S ATOM 556 CE MET A 43 3.936 0.636 -5.220 1.00 0.00 C ATOM 0 H MET A 43 2.865 4.547 -1.738 1.00 0.00 H new ATOM 0 HA MET A 43 0.554 3.899 -3.439 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.166 2.687 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.767 4.307 -4.495 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.391 3.556 -2.934 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.606 2.003 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.590 -0.233 -5.288 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.164 0.451 -4.473 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.469 0.816 -6.188 1.00 0.00 H new ATOM 566 N LEU A 44 0.295 1.445 -2.817 1.00 0.00 N ATOM 567 CA LEU A 44 -0.069 0.158 -2.234 1.00 0.00 C ATOM 568 C LEU A 44 0.311 -0.989 -3.166 1.00 0.00 C ATOM 569 O LEU A 44 -0.152 -1.056 -4.305 1.00 0.00 O ATOM 570 CB LEU A 44 -1.569 0.115 -1.939 1.00 0.00 C ATOM 571 CG LEU A 44 -2.077 -1.138 -1.224 1.00 0.00 C ATOM 572 CD1 LEU A 44 -2.010 -0.955 0.284 1.00 0.00 C ATOM 573 CD2 LEU A 44 -3.498 -1.462 -1.661 1.00 0.00 C ATOM 0 H LEU A 44 -0.186 1.664 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 44 0.482 0.041 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.825 0.984 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.107 0.215 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.435 -1.975 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.375 -1.856 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.978 -0.771 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.629 -0.106 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.843 -2.356 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.153 -0.626 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.517 -1.636 -2.737 1.00 0.00 H new ATOM 585 N LEU A 45 1.154 -1.889 -2.674 1.00 0.00 N ATOM 586 CA LEU A 45 1.595 -3.035 -3.462 1.00 0.00 C ATOM 587 C LEU A 45 1.381 -4.337 -2.696 1.00 0.00 C ATOM 588 O LEU A 45 1.072 -4.324 -1.504 1.00 0.00 O ATOM 589 CB LEU A 45 3.071 -2.886 -3.833 1.00 0.00 C ATOM 590 CG LEU A 45 4.076 -3.137 -2.708 1.00 0.00 C ATOM 591 CD1 LEU A 45 3.746 -2.277 -1.497 1.00 0.00 C ATOM 592 CD2 LEU A 45 4.095 -4.610 -2.328 1.00 0.00 C ATOM 0 H LEU A 45 1.546 -1.848 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 45 0.999 -3.069 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.291 -3.574 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.229 -1.877 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 45 5.068 -2.862 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.471 -2.469 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.784 -1.224 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.746 -2.521 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.816 -4.770 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.104 -4.911 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.379 -5.206 -3.195 1.00 0.00 H new ATOM 604 N ILE A 46 1.549 -5.459 -3.388 1.00 0.00 N ATOM 605 CA ILE A 46 1.377 -6.769 -2.772 1.00 0.00 C ATOM 606 C ILE A 46 2.557 -7.682 -3.085 1.00 0.00 C ATOM 607 O ILE A 46 3.126 -7.628 -4.174 1.00 0.00 O ATOM 608 CB ILE A 46 0.077 -7.447 -3.244 1.00 0.00 C ATOM 609 CG1 ILE A 46 -1.103 -6.481 -3.119 1.00 0.00 C ATOM 610 CG2 ILE A 46 -0.181 -8.714 -2.442 1.00 0.00 C ATOM 611 CD1 ILE A 46 -1.532 -6.233 -1.690 1.00 0.00 C ATOM 0 H ILE A 46 1.804 -5.487 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 46 1.322 -6.607 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 46 0.188 -7.721 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.834 -5.530 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.949 -6.879 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.103 -9.182 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.650 -9.406 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.275 -8.463 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.373 -5.539 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.832 -7.175 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.701 -5.806 -1.129 1.00 0.00 H new ATOM 623 N GLY A 47 2.918 -8.525 -2.121 1.00 0.00 N ATOM 624 CA GLY A 47 4.027 -9.440 -2.314 1.00 0.00 C ATOM 625 C GLY A 47 3.661 -10.873 -1.983 1.00 0.00 C ATOM 626 O GLY A 47 4.318 -11.517 -1.165 1.00 0.00 O ATOM 0 H GLY A 47 2.462 -8.590 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.364 -9.384 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.864 -9.128 -1.689 1.00 0.00 H new ATOM 630 N VAL A 48 2.606 -11.375 -2.619 1.00 0.00 N ATOM 631 CA VAL A 48 2.152 -12.741 -2.387 1.00 0.00 C ATOM 632 C VAL A 48 3.323 -13.717 -2.391 1.00 0.00 C ATOM 633 O VAL A 48 3.865 -14.049 -3.445 1.00 0.00 O ATOM 634 CB VAL A 48 1.128 -13.180 -3.451 1.00 0.00 C ATOM 635 CG1 VAL A 48 -0.180 -12.424 -3.276 1.00 0.00 C ATOM 636 CG2 VAL A 48 1.691 -12.973 -4.849 1.00 0.00 C ATOM 0 H VAL A 48 2.050 -10.856 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 48 1.675 -12.754 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 48 0.926 -14.243 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.891 -12.747 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.589 -12.628 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.001 -11.354 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.955 -13.288 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.923 -11.918 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.599 -13.564 -4.967 1.00 0.00 H new ATOM 646 N HIS A 49 3.708 -14.175 -1.204 1.00 0.00 N ATOM 647 CA HIS A 49 4.815 -15.115 -1.070 1.00 0.00 C ATOM 648 C HIS A 49 4.348 -16.545 -1.327 1.00 0.00 C ATOM 649 O HIS A 49 3.253 -16.933 -0.923 1.00 0.00 O ATOM 650 CB HIS A 49 5.434 -15.012 0.325 1.00 0.00 C ATOM 651 CG HIS A 49 6.888 -15.368 0.362 1.00 0.00 C ATOM 652 ND1 HIS A 49 7.888 -14.434 0.535 1.00 0.00 N ATOM 653 CD2 HIS A 49 7.510 -16.565 0.250 1.00 0.00 C ATOM 654 CE1 HIS A 49 9.061 -15.041 0.526 1.00 0.00 C ATOM 655 NE2 HIS A 49 8.860 -16.335 0.355 1.00 0.00 N ATOM 0 H HIS A 49 3.270 -13.911 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 49 5.569 -14.858 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.308 -13.995 0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.890 -15.668 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.033 -17.523 0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.022 -14.561 0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.588 -17.047 0.308 1.00 0.00 H new ATOM 663 N GLY A 50 5.187 -17.324 -2.003 1.00 0.00 N ATOM 664 CA GLY A 50 4.842 -18.701 -2.304 1.00 0.00 C ATOM 665 C GLY A 50 5.690 -19.693 -1.533 1.00 0.00 C ATOM 666 O GLY A 50 6.474 -20.449 -2.106 1.00 0.00 O ATOM 0 H GLY A 50 6.100 -17.026 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.790 -18.868 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.963 -18.877 -3.373 1.00 0.00 H new ATOM 670 N PRO A 51 5.537 -19.698 -0.200 1.00 0.00 N ATOM 671 CA PRO A 51 6.288 -20.599 0.680 1.00 0.00 C ATOM 672 C PRO A 51 5.854 -22.053 0.527 1.00 0.00 C ATOM 673 O PRO A 51 6.629 -22.974 0.785 1.00 0.00 O ATOM 674 CB PRO A 51 5.953 -20.086 2.082 1.00 0.00 C ATOM 675 CG PRO A 51 4.631 -19.413 1.934 1.00 0.00 C ATOM 676 CD PRO A 51 4.619 -18.824 0.551 1.00 0.00 C ATOM 0 HA PRO A 51 7.354 -20.595 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.903 -20.904 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.713 -19.392 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.815 -20.124 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.501 -18.638 2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.617 -18.829 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.960 -17.789 0.552 1.00 0.00 H new ATOM 684 N THR A 52 4.609 -22.253 0.104 1.00 0.00 N ATOM 685 CA THR A 52 4.072 -23.595 -0.083 1.00 0.00 C ATOM 686 C THR A 52 3.546 -23.784 -1.501 1.00 0.00 C ATOM 687 O THR A 52 3.767 -24.824 -2.123 1.00 0.00 O ATOM 688 CB THR A 52 2.938 -23.890 0.917 1.00 0.00 C ATOM 689 OG1 THR A 52 1.841 -22.999 0.690 1.00 0.00 O ATOM 690 CG2 THR A 52 3.428 -23.745 2.350 1.00 0.00 C ATOM 0 H THR A 52 3.954 -21.502 -0.115 1.00 0.00 H new ATOM 0 HA THR A 52 4.892 -24.291 0.093 1.00 0.00 H new ATOM 0 HB THR A 52 2.608 -24.918 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.429 -22.763 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.610 -23.958 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.244 -24.446 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.782 -22.727 2.512 1.00 0.00 H new ATOM 698 N THR A 53 2.850 -22.772 -2.009 1.00 0.00 N ATOM 699 CA THR A 53 2.292 -22.827 -3.354 1.00 0.00 C ATOM 700 C THR A 53 2.020 -21.428 -3.895 1.00 0.00 C ATOM 701 O THR A 53 1.391 -20.595 -3.242 1.00 0.00 O ATOM 702 CB THR A 53 0.984 -23.640 -3.387 1.00 0.00 C ATOM 703 OG1 THR A 53 1.257 -25.019 -3.112 1.00 0.00 O ATOM 704 CG2 THR A 53 0.302 -23.514 -4.741 1.00 0.00 C ATOM 0 H THR A 53 2.659 -21.904 -1.509 1.00 0.00 H new ATOM 0 HA THR A 53 3.034 -23.319 -3.983 1.00 0.00 H new ATOM 0 HB THR A 53 0.316 -23.242 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.425 -25.534 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.619 -24.097 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.069 -22.467 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.967 -23.888 -5.520 1.00 0.00 H new ATOM 712 N PRO A 54 2.505 -21.161 -5.117 1.00 0.00 N ATOM 713 CA PRO A 54 2.325 -19.862 -5.773 1.00 0.00 C ATOM 714 C PRO A 54 0.878 -19.616 -6.185 1.00 0.00 C ATOM 715 O PRO A 54 0.108 -20.558 -6.377 1.00 0.00 O ATOM 716 CB PRO A 54 3.224 -19.961 -7.008 1.00 0.00 C ATOM 717 CG PRO A 54 3.320 -21.421 -7.290 1.00 0.00 C ATOM 718 CD PRO A 54 3.264 -22.106 -5.952 1.00 0.00 C ATOM 0 HA PRO A 54 2.576 -19.033 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.796 -19.422 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.207 -19.529 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.502 -21.749 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.248 -21.658 -7.811 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.767 -23.074 -6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.261 -22.286 -5.550 1.00 0.00 H new ATOM 726 N CYS A 55 0.514 -18.346 -6.320 1.00 0.00 N ATOM 727 CA CYS A 55 -0.842 -17.976 -6.709 1.00 0.00 C ATOM 728 C CYS A 55 -0.966 -17.885 -8.227 1.00 0.00 C ATOM 729 O CYS A 55 0.009 -17.605 -8.922 1.00 0.00 O ATOM 730 CB CYS A 55 -1.232 -16.641 -6.072 1.00 0.00 C ATOM 731 SG CYS A 55 -3.001 -16.473 -5.734 1.00 0.00 S ATOM 0 H CYS A 55 1.139 -17.555 -6.166 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.520 -18.751 -6.353 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.682 -16.521 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.921 -15.831 -6.732 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.669 -17.277 -6.507 1.00 0.00 H new ATOM 737 N GLU A 56 -2.172 -18.124 -8.732 1.00 0.00 N ATOM 738 CA GLU A 56 -2.422 -18.071 -10.168 1.00 0.00 C ATOM 739 C GLU A 56 -2.167 -16.669 -10.713 1.00 0.00 C ATOM 740 O GLU A 56 -1.572 -16.506 -11.778 1.00 0.00 O ATOM 741 CB GLU A 56 -3.860 -18.495 -10.474 1.00 0.00 C ATOM 742 CG GLU A 56 -4.103 -19.986 -10.309 1.00 0.00 C ATOM 743 CD GLU A 56 -3.072 -20.829 -11.033 1.00 0.00 C ATOM 744 OE1 GLU A 56 -2.798 -20.542 -12.218 1.00 0.00 O ATOM 745 OE2 GLU A 56 -2.538 -21.774 -10.417 1.00 0.00 O ATOM 0 H GLU A 56 -2.990 -18.356 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.735 -18.763 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.538 -17.950 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.105 -18.206 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.092 -20.237 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.096 -20.232 -10.684 1.00 0.00 H new ATOM 752 N GLU A 57 -2.622 -15.662 -9.975 1.00 0.00 N ATOM 753 CA GLU A 57 -2.444 -14.274 -10.386 1.00 0.00 C ATOM 754 C GLU A 57 -2.888 -13.318 -9.282 1.00 0.00 C ATOM 755 O GLU A 57 -3.362 -13.746 -8.229 1.00 0.00 O ATOM 756 CB GLU A 57 -3.232 -13.992 -11.666 1.00 0.00 C ATOM 757 CG GLU A 57 -4.739 -14.066 -11.482 1.00 0.00 C ATOM 758 CD GLU A 57 -5.481 -14.207 -12.797 1.00 0.00 C ATOM 759 OE1 GLU A 57 -5.520 -15.331 -13.339 1.00 0.00 O ATOM 760 OE2 GLU A 57 -6.024 -13.193 -13.283 1.00 0.00 O ATOM 0 H GLU A 57 -3.116 -15.781 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.383 -14.113 -10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.968 -13.001 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.932 -14.707 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.982 -14.912 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.083 -13.168 -10.969 1.00 0.00 H new ATOM 767 N VAL A 58 -2.731 -12.022 -9.530 1.00 0.00 N ATOM 768 CA VAL A 58 -3.115 -11.005 -8.558 1.00 0.00 C ATOM 769 C VAL A 58 -3.588 -9.733 -9.253 1.00 0.00 C ATOM 770 O VAL A 58 -2.784 -8.968 -9.785 1.00 0.00 O ATOM 771 CB VAL A 58 -1.947 -10.659 -7.616 1.00 0.00 C ATOM 772 CG1 VAL A 58 -2.352 -9.560 -6.645 1.00 0.00 C ATOM 773 CG2 VAL A 58 -1.482 -11.899 -6.867 1.00 0.00 C ATOM 0 H VAL A 58 -2.340 -11.651 -10.396 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.934 -11.421 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.115 -10.292 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.514 -9.329 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.633 -8.667 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.200 -9.896 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.656 -11.636 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.307 -12.298 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.149 -12.652 -7.581 1.00 0.00 H new ATOM 783 N SER A 59 -4.899 -9.512 -9.242 1.00 0.00 N ATOM 784 CA SER A 59 -5.480 -8.333 -9.874 1.00 0.00 C ATOM 785 C SER A 59 -5.626 -7.194 -8.869 1.00 0.00 C ATOM 786 O SER A 59 -6.399 -7.288 -7.916 1.00 0.00 O ATOM 787 CB SER A 59 -6.844 -8.673 -10.478 1.00 0.00 C ATOM 788 OG SER A 59 -7.193 -7.753 -11.498 1.00 0.00 O ATOM 0 H SER A 59 -5.578 -10.133 -8.803 1.00 0.00 H new ATOM 0 HA SER A 59 -4.809 -8.009 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.823 -9.683 -10.887 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.604 -8.661 -9.697 1.00 0.00 H new ATOM 0 HG SER A 59 -8.068 -7.993 -11.869 1.00 0.00 H new ATOM 794 N MET A 60 -4.876 -6.119 -9.090 1.00 0.00 N ATOM 795 CA MET A 60 -4.922 -4.961 -8.205 1.00 0.00 C ATOM 796 C MET A 60 -5.396 -3.721 -8.956 1.00 0.00 C ATOM 797 O MET A 60 -4.765 -3.289 -9.921 1.00 0.00 O ATOM 798 CB MET A 60 -3.544 -4.705 -7.592 1.00 0.00 C ATOM 799 CG MET A 60 -2.887 -5.956 -7.030 1.00 0.00 C ATOM 800 SD MET A 60 -1.086 -5.876 -7.079 1.00 0.00 S ATOM 801 CE MET A 60 -0.795 -4.298 -6.285 1.00 0.00 C ATOM 0 H MET A 60 -4.230 -6.026 -9.874 1.00 0.00 H new ATOM 0 HA MET A 60 -5.633 -5.174 -7.406 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.892 -4.272 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.641 -3.967 -6.796 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.213 -6.101 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.224 -6.824 -7.596 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.264 -4.200 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.092 -3.493 -6.956 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.380 -4.239 -5.367 1.00 0.00 H new ATOM 811 N LYS A 61 -6.510 -3.153 -8.508 1.00 0.00 N ATOM 812 CA LYS A 61 -7.069 -1.962 -9.137 1.00 0.00 C ATOM 813 C LYS A 61 -7.446 -0.920 -8.089 1.00 0.00 C ATOM 814 O LYS A 61 -7.672 -1.250 -6.924 1.00 0.00 O ATOM 815 CB LYS A 61 -8.297 -2.330 -9.971 1.00 0.00 C ATOM 816 CG LYS A 61 -7.969 -2.693 -11.409 1.00 0.00 C ATOM 817 CD LYS A 61 -7.639 -4.170 -11.550 1.00 0.00 C ATOM 818 CE LYS A 61 -8.017 -4.697 -12.925 1.00 0.00 C ATOM 819 NZ LYS A 61 -9.491 -4.845 -13.076 1.00 0.00 N ATOM 0 H LYS A 61 -7.044 -3.498 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.308 -1.535 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.807 -3.170 -9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.993 -1.492 -9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.815 -2.446 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.124 -2.096 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.573 -4.323 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.168 -4.737 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.640 -4.019 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.536 -5.661 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.697 -5.447 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.886 -5.282 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.921 -3.909 -13.216 1.00 0.00 H new ATOM 833 N HIS A 62 -7.515 0.339 -8.510 1.00 0.00 N ATOM 834 CA HIS A 62 -7.867 1.429 -7.608 1.00 0.00 C ATOM 835 C HIS A 62 -9.277 1.937 -7.894 1.00 0.00 C ATOM 836 O HIS A 62 -9.460 2.925 -8.605 1.00 0.00 O ATOM 837 CB HIS A 62 -6.863 2.575 -7.741 1.00 0.00 C ATOM 838 CG HIS A 62 -7.250 3.802 -6.976 1.00 0.00 C ATOM 839 ND1 HIS A 62 -7.457 5.028 -7.573 1.00 0.00 N ATOM 840 CD2 HIS A 62 -7.470 3.988 -5.653 1.00 0.00 C ATOM 841 CE1 HIS A 62 -7.785 5.915 -6.650 1.00 0.00 C ATOM 842 NE2 HIS A 62 -7.800 5.309 -5.477 1.00 0.00 N ATOM 0 H HIS A 62 -7.332 0.629 -9.470 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.837 1.047 -6.588 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -5.887 2.234 -7.395 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.756 2.833 -8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.399 3.237 -4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.004 6.958 -6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.021 5.751 -4.585 1.00 0.00 H new ATOM 850 N VAL A 63 -10.272 1.253 -7.336 1.00 0.00 N ATOM 851 CA VAL A 63 -11.665 1.635 -7.531 1.00 0.00 C ATOM 852 C VAL A 63 -11.886 3.103 -7.188 1.00 0.00 C ATOM 853 O VAL A 63 -12.861 3.714 -7.623 1.00 0.00 O ATOM 854 CB VAL A 63 -12.609 0.771 -6.674 1.00 0.00 C ATOM 855 CG1 VAL A 63 -12.867 -0.569 -7.348 1.00 0.00 C ATOM 856 CG2 VAL A 63 -12.032 0.574 -5.281 1.00 0.00 C ATOM 0 H VAL A 63 -10.138 0.432 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.893 1.473 -8.585 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.562 1.291 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.536 -1.165 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.327 -0.404 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.923 -1.099 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.712 -0.039 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.065 0.076 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.905 1.544 -4.799 1.00 0.00 H new ATOM 866 N GLY A 64 -10.972 3.666 -6.402 1.00 0.00 N ATOM 867 CA GLY A 64 -11.085 5.059 -6.013 1.00 0.00 C ATOM 868 C GLY A 64 -11.476 5.225 -4.558 1.00 0.00 C ATOM 869 O GLY A 64 -11.543 4.250 -3.812 1.00 0.00 O ATOM 0 H GLY A 64 -10.156 3.182 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.134 5.561 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.826 5.550 -6.643 1.00 0.00 H new ATOM 873 N ASN A 65 -11.734 6.465 -4.154 1.00 0.00 N ATOM 874 CA ASN A 65 -12.118 6.755 -2.777 1.00 0.00 C ATOM 875 C ASN A 65 -11.095 6.190 -1.796 1.00 0.00 C ATOM 876 O ASN A 65 -11.441 5.798 -0.682 1.00 0.00 O ATOM 877 CB ASN A 65 -13.502 6.176 -2.479 1.00 0.00 C ATOM 878 CG ASN A 65 -14.623 7.086 -2.945 1.00 0.00 C ATOM 879 OD1 ASN A 65 -15.063 7.009 -4.092 1.00 0.00 O ATOM 880 ND2 ASN A 65 -15.089 7.953 -2.054 1.00 0.00 N ATOM 0 H ASN A 65 -11.684 7.284 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.151 7.838 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.599 5.206 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.598 6.006 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.843 8.591 -2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.693 7.981 -1.114 1.00 0.00 H new ATOM 887 N GLN A 66 -9.836 6.153 -2.219 1.00 0.00 N ATOM 888 CA GLN A 66 -8.763 5.635 -1.377 1.00 0.00 C ATOM 889 C GLN A 66 -8.944 4.143 -1.121 1.00 0.00 C ATOM 890 O GLN A 66 -8.490 3.619 -0.104 1.00 0.00 O ATOM 891 CB GLN A 66 -8.719 6.392 -0.048 1.00 0.00 C ATOM 892 CG GLN A 66 -8.770 7.903 -0.206 1.00 0.00 C ATOM 893 CD GLN A 66 -10.163 8.410 -0.522 1.00 0.00 C ATOM 894 OE1 GLN A 66 -10.432 8.868 -1.633 1.00 0.00 O ATOM 895 NE2 GLN A 66 -11.058 8.332 0.456 1.00 0.00 N ATOM 0 H GLN A 66 -9.533 6.475 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.819 5.782 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.557 6.071 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.807 6.121 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.416 8.373 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.089 8.205 -1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.792 7.945 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.012 8.659 0.302 1.00 0.00 H new ATOM 904 N GLN A 67 -9.611 3.465 -2.050 1.00 0.00 N ATOM 905 CA GLN A 67 -9.852 2.032 -1.923 1.00 0.00 C ATOM 906 C GLN A 67 -9.093 1.255 -2.994 1.00 0.00 C ATOM 907 O GLN A 67 -9.133 1.605 -4.173 1.00 0.00 O ATOM 908 CB GLN A 67 -11.349 1.735 -2.024 1.00 0.00 C ATOM 909 CG GLN A 67 -12.174 2.381 -0.923 1.00 0.00 C ATOM 910 CD GLN A 67 -13.666 2.236 -1.149 1.00 0.00 C ATOM 911 OE1 GLN A 67 -14.391 1.742 -0.285 1.00 0.00 O ATOM 912 NE2 GLN A 67 -14.133 2.666 -2.315 1.00 0.00 N ATOM 0 H GLN A 67 -9.994 3.884 -2.898 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.491 1.713 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.715 2.081 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.500 0.656 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.910 1.932 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.921 3.439 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.496 3.069 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.129 2.594 -2.524 1.00 0.00 H new ATOM 921 N TYR A 68 -8.403 0.200 -2.575 1.00 0.00 N ATOM 922 CA TYR A 68 -7.633 -0.625 -3.498 1.00 0.00 C ATOM 923 C TYR A 68 -8.153 -2.059 -3.510 1.00 0.00 C ATOM 924 O TYR A 68 -8.054 -2.775 -2.515 1.00 0.00 O ATOM 925 CB TYR A 68 -6.153 -0.610 -3.113 1.00 0.00 C ATOM 926 CG TYR A 68 -5.476 0.719 -3.359 1.00 0.00 C ATOM 927 CD1 TYR A 68 -5.064 1.087 -4.634 1.00 0.00 C ATOM 928 CD2 TYR A 68 -5.250 1.609 -2.316 1.00 0.00 C ATOM 929 CE1 TYR A 68 -4.445 2.300 -4.862 1.00 0.00 C ATOM 930 CE2 TYR A 68 -4.633 2.825 -2.535 1.00 0.00 C ATOM 931 CZ TYR A 68 -4.232 3.166 -3.810 1.00 0.00 C ATOM 932 OH TYR A 68 -3.616 4.376 -4.034 1.00 0.00 O ATOM 0 H TYR A 68 -8.361 -0.104 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.746 -0.209 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.058 -0.866 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.632 -1.383 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.231 0.413 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.562 1.345 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.129 2.569 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.465 3.505 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.543 4.867 -3.189 1.00 0.00 H new ATOM 942 N ASN A 69 -8.707 -2.471 -4.646 1.00 0.00 N ATOM 943 CA ASN A 69 -9.244 -3.819 -4.790 1.00 0.00 C ATOM 944 C ASN A 69 -8.158 -4.791 -5.243 1.00 0.00 C ATOM 945 O ASN A 69 -7.513 -4.582 -6.271 1.00 0.00 O ATOM 946 CB ASN A 69 -10.401 -3.826 -5.791 1.00 0.00 C ATOM 947 CG ASN A 69 -11.405 -4.927 -5.506 1.00 0.00 C ATOM 948 OD1 ASN A 69 -10.912 -6.074 -5.055 1.00 0.00 O flip ATOM 949 ND2 ASN A 69 -12.609 -4.746 -5.690 1.00 0.00 N flip ATOM 0 H ASN A 69 -8.796 -1.890 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.613 -4.142 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.907 -2.861 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.005 -3.951 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.942 -3.847 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.273 -5.495 -5.494 1.00 0.00 H new ATOM 956 N VAL A 70 -7.962 -5.853 -4.470 1.00 0.00 N ATOM 957 CA VAL A 70 -6.956 -6.859 -4.792 1.00 0.00 C ATOM 958 C VAL A 70 -7.548 -8.263 -4.746 1.00 0.00 C ATOM 959 O VAL A 70 -7.886 -8.772 -3.677 1.00 0.00 O ATOM 960 CB VAL A 70 -5.760 -6.786 -3.825 1.00 0.00 C ATOM 961 CG1 VAL A 70 -4.734 -7.856 -4.163 1.00 0.00 C ATOM 962 CG2 VAL A 70 -5.130 -5.402 -3.860 1.00 0.00 C ATOM 0 H VAL A 70 -8.487 -6.040 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.609 -6.647 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.122 -6.970 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.896 -7.789 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.195 -8.840 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.375 -7.707 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.286 -5.369 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.782 -5.186 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.870 -4.658 -3.564 1.00 0.00 H new ATOM 972 N THR A 71 -7.671 -8.886 -5.914 1.00 0.00 N ATOM 973 CA THR A 71 -8.222 -10.231 -6.008 1.00 0.00 C ATOM 974 C THR A 71 -7.190 -11.212 -6.553 1.00 0.00 C ATOM 975 O THR A 71 -6.352 -10.851 -7.379 1.00 0.00 O ATOM 976 CB THR A 71 -9.471 -10.265 -6.909 1.00 0.00 C ATOM 977 OG1 THR A 71 -10.166 -9.015 -6.831 1.00 0.00 O ATOM 978 CG2 THR A 71 -10.404 -11.395 -6.500 1.00 0.00 C ATOM 0 H THR A 71 -7.396 -8.480 -6.808 1.00 0.00 H new ATOM 0 HA THR A 71 -8.503 -10.528 -4.998 1.00 0.00 H new ATOM 0 HB THR A 71 -9.146 -10.437 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.958 -9.044 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.278 -11.398 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.882 -12.348 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.721 -11.249 -5.467 1.00 0.00 H new ATOM 986 N TYR A 72 -7.257 -12.454 -6.086 1.00 0.00 N ATOM 987 CA TYR A 72 -6.326 -13.487 -6.526 1.00 0.00 C ATOM 988 C TYR A 72 -7.015 -14.846 -6.596 1.00 0.00 C ATOM 989 O TYR A 72 -8.179 -14.986 -6.222 1.00 0.00 O ATOM 990 CB TYR A 72 -5.126 -13.558 -5.580 1.00 0.00 C ATOM 991 CG TYR A 72 -5.501 -13.875 -4.150 1.00 0.00 C ATOM 992 CD1 TYR A 72 -5.954 -15.139 -3.794 1.00 0.00 C ATOM 993 CD2 TYR A 72 -5.402 -12.910 -3.155 1.00 0.00 C ATOM 994 CE1 TYR A 72 -6.298 -15.433 -2.489 1.00 0.00 C ATOM 995 CE2 TYR A 72 -5.743 -13.195 -1.847 1.00 0.00 C ATOM 996 CZ TYR A 72 -6.190 -14.458 -1.519 1.00 0.00 C ATOM 997 OH TYR A 72 -6.531 -14.746 -0.217 1.00 0.00 O ATOM 0 H TYR A 72 -7.946 -12.770 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.977 -13.225 -7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.433 -14.317 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.597 -12.605 -5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.039 -15.905 -4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.052 -11.920 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.650 -16.421 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.660 -12.433 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.489 -13.928 0.321 1.00 0.00 H new ATOM 1007 N VAL A 73 -6.285 -15.848 -7.077 1.00 0.00 N ATOM 1008 CA VAL A 73 -6.823 -17.198 -7.195 1.00 0.00 C ATOM 1009 C VAL A 73 -5.772 -18.241 -6.832 1.00 0.00 C ATOM 1010 O VAL A 73 -4.625 -18.162 -7.270 1.00 0.00 O ATOM 1011 CB VAL A 73 -7.335 -17.476 -8.621 1.00 0.00 C ATOM 1012 CG1 VAL A 73 -7.853 -18.901 -8.734 1.00 0.00 C ATOM 1013 CG2 VAL A 73 -8.416 -16.475 -9.003 1.00 0.00 C ATOM 0 H VAL A 73 -5.320 -15.750 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.658 -17.268 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.503 -17.361 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.210 -19.079 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.048 -19.600 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.672 -19.047 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.767 -16.686 -10.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.250 -16.556 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.007 -15.465 -8.964 1.00 0.00 H new ATOM 1023 N VAL A 74 -6.173 -19.221 -6.028 1.00 0.00 N ATOM 1024 CA VAL A 74 -5.267 -20.283 -5.606 1.00 0.00 C ATOM 1025 C VAL A 74 -5.718 -21.636 -6.144 1.00 0.00 C ATOM 1026 O VAL A 74 -6.809 -22.110 -5.828 1.00 0.00 O ATOM 1027 CB VAL A 74 -5.168 -20.359 -4.071 1.00 0.00 C ATOM 1028 CG1 VAL A 74 -4.359 -19.191 -3.528 1.00 0.00 C ATOM 1029 CG2 VAL A 74 -6.556 -20.392 -3.449 1.00 0.00 C ATOM 0 H VAL A 74 -7.119 -19.301 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.285 -20.043 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.652 -21.281 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.301 -19.263 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.354 -19.218 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.842 -18.254 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.467 -20.446 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.100 -19.488 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.097 -21.266 -3.812 1.00 0.00 H new ATOM 1039 N LYS A 75 -4.870 -22.255 -6.958 1.00 0.00 N ATOM 1040 CA LYS A 75 -5.179 -23.556 -7.540 1.00 0.00 C ATOM 1041 C LYS A 75 -5.042 -24.663 -6.500 1.00 0.00 C ATOM 1042 O LYS A 75 -5.628 -25.736 -6.642 1.00 0.00 O ATOM 1043 CB LYS A 75 -4.255 -23.840 -8.726 1.00 0.00 C ATOM 1044 CG LYS A 75 -4.888 -24.713 -9.795 1.00 0.00 C ATOM 1045 CD LYS A 75 -5.837 -23.917 -10.676 1.00 0.00 C ATOM 1046 CE LYS A 75 -6.871 -24.816 -11.337 1.00 0.00 C ATOM 1047 NZ LYS A 75 -6.254 -25.728 -12.339 1.00 0.00 N ATOM 0 H LYS A 75 -3.963 -21.877 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.211 -23.534 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.952 -22.894 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.349 -24.325 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.107 -25.160 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.430 -25.533 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.342 -23.159 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.268 -23.390 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.380 -25.406 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.629 -24.201 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.991 -26.324 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.790 -25.166 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.549 -26.332 -11.871 1.00 0.00 H new ATOM 1061 N GLU A 76 -4.266 -24.395 -5.454 1.00 0.00 N ATOM 1062 CA GLU A 76 -4.055 -25.369 -4.390 1.00 0.00 C ATOM 1063 C GLU A 76 -4.576 -24.841 -3.057 1.00 0.00 C ATOM 1064 O GLU A 76 -4.999 -23.690 -2.956 1.00 0.00 O ATOM 1065 CB GLU A 76 -2.568 -25.711 -4.270 1.00 0.00 C ATOM 1066 CG GLU A 76 -2.294 -26.946 -3.429 1.00 0.00 C ATOM 1067 CD GLU A 76 -1.029 -27.670 -3.850 1.00 0.00 C ATOM 1068 OE1 GLU A 76 0.072 -27.163 -3.549 1.00 0.00 O ATOM 1069 OE2 GLU A 76 -1.140 -28.742 -4.480 1.00 0.00 O ATOM 0 H GLU A 76 -3.773 -23.512 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.609 -26.272 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.157 -25.863 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.042 -24.861 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.211 -26.656 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.141 -27.628 -3.505 1.00 0.00 H new ATOM 1076 N ARG A 77 -4.543 -25.692 -2.037 1.00 0.00 N ATOM 1077 CA ARG A 77 -5.013 -25.313 -0.710 1.00 0.00 C ATOM 1078 C ARG A 77 -3.910 -25.490 0.329 1.00 0.00 C ATOM 1079 O ARG A 77 -2.820 -25.968 0.017 1.00 0.00 O ATOM 1080 CB ARG A 77 -6.234 -26.149 -0.320 1.00 0.00 C ATOM 1081 CG ARG A 77 -5.915 -27.614 -0.072 1.00 0.00 C ATOM 1082 CD ARG A 77 -7.158 -28.482 -0.191 1.00 0.00 C ATOM 1083 NE ARG A 77 -7.048 -29.705 0.600 1.00 0.00 N ATOM 1084 CZ ARG A 77 -6.390 -30.786 0.195 1.00 0.00 C ATOM 1085 NH1 ARG A 77 -5.786 -30.795 -0.985 1.00 0.00 N ATOM 1086 NH2 ARG A 77 -6.336 -31.861 0.972 1.00 0.00 N ATOM 0 H ARG A 77 -4.196 -26.649 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.295 -24.261 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.681 -25.726 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.981 -26.077 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.165 -27.950 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.482 -27.730 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.029 -27.915 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.321 -28.740 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.501 -29.731 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.826 -29.971 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.282 -31.626 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.800 -31.857 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.831 -32.691 0.661 1.00 0.00 H new ATOM 1100 N GLY A 78 -4.201 -25.100 1.567 1.00 0.00 N ATOM 1101 CA GLY A 78 -3.224 -25.222 2.633 1.00 0.00 C ATOM 1102 C GLY A 78 -2.905 -23.890 3.282 1.00 0.00 C ATOM 1103 O GLY A 78 -3.595 -22.898 3.051 1.00 0.00 O ATOM 0 H GLY A 78 -5.096 -24.702 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.600 -25.910 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.308 -25.657 2.234 1.00 0.00 H new ATOM 1107 N ASP A 79 -1.857 -23.868 4.098 1.00 0.00 N ATOM 1108 CA ASP A 79 -1.447 -22.648 4.785 1.00 0.00 C ATOM 1109 C ASP A 79 -0.865 -21.640 3.799 1.00 0.00 C ATOM 1110 O ASP A 79 0.103 -21.931 3.096 1.00 0.00 O ATOM 1111 CB ASP A 79 -0.421 -22.969 5.872 1.00 0.00 C ATOM 1112 CG ASP A 79 -1.027 -23.729 7.035 1.00 0.00 C ATOM 1113 OD1 ASP A 79 -1.205 -24.960 6.912 1.00 0.00 O ATOM 1114 OD2 ASP A 79 -1.324 -23.094 8.068 1.00 0.00 O ATOM 0 H ASP A 79 -1.275 -24.681 4.300 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.329 -22.207 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.389 -23.557 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.018 -22.041 6.238 1.00 0.00 H new ATOM 1119 N TYR A 80 -1.461 -20.454 3.753 1.00 0.00 N ATOM 1120 CA TYR A 80 -1.004 -19.403 2.851 1.00 0.00 C ATOM 1121 C TYR A 80 -0.447 -18.218 3.634 1.00 0.00 C ATOM 1122 O TYR A 80 -0.783 -18.016 4.801 1.00 0.00 O ATOM 1123 CB TYR A 80 -2.151 -18.941 1.950 1.00 0.00 C ATOM 1124 CG TYR A 80 -2.259 -19.720 0.659 1.00 0.00 C ATOM 1125 CD1 TYR A 80 -3.009 -20.888 0.590 1.00 0.00 C ATOM 1126 CD2 TYR A 80 -1.610 -19.290 -0.492 1.00 0.00 C ATOM 1127 CE1 TYR A 80 -3.110 -21.603 -0.587 1.00 0.00 C ATOM 1128 CE2 TYR A 80 -1.706 -19.998 -1.673 1.00 0.00 C ATOM 1129 CZ TYR A 80 -2.457 -21.154 -1.716 1.00 0.00 C ATOM 1130 OH TYR A 80 -2.555 -21.864 -2.891 1.00 0.00 O ATOM 0 H TYR A 80 -2.262 -20.196 4.330 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.206 -19.812 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.090 -19.029 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.016 -17.885 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.522 -21.242 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -1.020 -18.386 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.697 -22.509 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.196 -19.649 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.252 -22.548 -2.803 1.00 0.00 H new ATOM 1140 N VAL A 81 0.406 -17.435 2.981 1.00 0.00 N ATOM 1141 CA VAL A 81 1.010 -16.268 3.613 1.00 0.00 C ATOM 1142 C VAL A 81 0.828 -15.022 2.754 1.00 0.00 C ATOM 1143 O VAL A 81 1.413 -14.906 1.677 1.00 0.00 O ATOM 1144 CB VAL A 81 2.513 -16.484 3.873 1.00 0.00 C ATOM 1145 CG1 VAL A 81 3.130 -15.244 4.501 1.00 0.00 C ATOM 1146 CG2 VAL A 81 2.730 -17.704 4.756 1.00 0.00 C ATOM 0 H VAL A 81 0.694 -17.588 2.015 1.00 0.00 H new ATOM 0 HA VAL A 81 0.501 -16.126 4.566 1.00 0.00 H new ATOM 0 HB VAL A 81 3.008 -16.662 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.192 -15.415 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.006 -14.395 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.635 -15.031 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.797 -17.842 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.223 -17.558 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.326 -18.587 4.262 1.00 0.00 H new ATOM 1156 N LEU A 82 0.013 -14.091 3.238 1.00 0.00 N ATOM 1157 CA LEU A 82 -0.247 -12.851 2.514 1.00 0.00 C ATOM 1158 C LEU A 82 0.663 -11.731 3.009 1.00 0.00 C ATOM 1159 O LEU A 82 0.674 -11.405 4.195 1.00 0.00 O ATOM 1160 CB LEU A 82 -1.712 -12.442 2.674 1.00 0.00 C ATOM 1161 CG LEU A 82 -2.081 -11.051 2.155 1.00 0.00 C ATOM 1162 CD1 LEU A 82 -1.878 -10.972 0.650 1.00 0.00 C ATOM 1163 CD2 LEU A 82 -3.518 -10.710 2.520 1.00 0.00 C ATOM 0 H LEU A 82 -0.479 -14.171 4.128 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.038 -13.024 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.332 -13.176 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.969 -12.493 3.732 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.424 -10.321 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.145 -9.975 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.833 -11.172 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.510 -11.712 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.763 -9.717 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.190 -11.444 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.631 -10.725 3.604 1.00 0.00 H new ATOM 1175 N ALA A 83 1.424 -11.145 2.090 1.00 0.00 N ATOM 1176 CA ALA A 83 2.334 -10.059 2.432 1.00 0.00 C ATOM 1177 C ALA A 83 1.912 -8.757 1.759 1.00 0.00 C ATOM 1178 O ALA A 83 2.035 -8.607 0.544 1.00 0.00 O ATOM 1179 CB ALA A 83 3.759 -10.420 2.040 1.00 0.00 C ATOM 0 H ALA A 83 1.428 -11.404 1.103 1.00 0.00 H new ATOM 0 HA ALA A 83 2.293 -9.910 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.427 -9.600 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.065 -11.321 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.807 -10.599 0.966 1.00 0.00 H new ATOM 1185 N VAL A 84 1.414 -7.818 2.557 1.00 0.00 N ATOM 1186 CA VAL A 84 0.974 -6.528 2.039 1.00 0.00 C ATOM 1187 C VAL A 84 1.822 -5.392 2.599 1.00 0.00 C ATOM 1188 O VAL A 84 2.012 -5.283 3.811 1.00 0.00 O ATOM 1189 CB VAL A 84 -0.506 -6.263 2.374 1.00 0.00 C ATOM 1190 CG1 VAL A 84 -0.982 -4.980 1.710 1.00 0.00 C ATOM 1191 CG2 VAL A 84 -1.367 -7.444 1.953 1.00 0.00 C ATOM 0 H VAL A 84 1.305 -7.927 3.565 1.00 0.00 H new ATOM 0 HA VAL A 84 1.092 -6.566 0.956 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.601 -6.141 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.030 -4.809 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.383 -4.142 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.875 -5.068 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.409 -7.240 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.270 -7.600 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.040 -8.340 2.481 1.00 0.00 H new ATOM 1201 N LYS A 85 2.331 -4.546 1.710 1.00 0.00 N ATOM 1202 CA LYS A 85 3.159 -3.416 2.114 1.00 0.00 C ATOM 1203 C LYS A 85 2.472 -2.094 1.785 1.00 0.00 C ATOM 1204 O LYS A 85 1.636 -2.026 0.885 1.00 0.00 O ATOM 1205 CB LYS A 85 4.521 -3.481 1.421 1.00 0.00 C ATOM 1206 CG LYS A 85 5.453 -4.527 2.008 1.00 0.00 C ATOM 1207 CD LYS A 85 6.848 -4.427 1.414 1.00 0.00 C ATOM 1208 CE LYS A 85 7.711 -3.438 2.183 1.00 0.00 C ATOM 1209 NZ LYS A 85 9.164 -3.674 1.952 1.00 0.00 N ATOM 0 H LYS A 85 2.184 -4.622 0.703 1.00 0.00 H new ATOM 0 HA LYS A 85 3.305 -3.472 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.371 -3.693 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.999 -2.504 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.507 -4.402 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.048 -5.522 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.321 -5.409 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.779 -4.118 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.456 -2.422 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.495 -3.519 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.719 -2.980 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.413 -4.635 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.375 -3.572 0.939 1.00 0.00 H new ATOM 1223 N TRP A 86 2.832 -1.048 2.520 1.00 0.00 N ATOM 1224 CA TRP A 86 2.251 0.273 2.305 1.00 0.00 C ATOM 1225 C TRP A 86 3.335 1.343 2.256 1.00 0.00 C ATOM 1226 O TRP A 86 3.660 1.958 3.271 1.00 0.00 O ATOM 1227 CB TRP A 86 1.246 0.597 3.411 1.00 0.00 C ATOM 1228 CG TRP A 86 0.784 2.023 3.396 1.00 0.00 C ATOM 1229 CD1 TRP A 86 1.061 2.984 4.326 1.00 0.00 C ATOM 1230 CD2 TRP A 86 -0.036 2.647 2.402 1.00 0.00 C ATOM 1231 NE1 TRP A 86 0.461 4.168 3.970 1.00 0.00 N ATOM 1232 CE2 TRP A 86 -0.217 3.988 2.794 1.00 0.00 C ATOM 1233 CE3 TRP A 86 -0.634 2.204 1.219 1.00 0.00 C ATOM 1234 CZ2 TRP A 86 -0.971 4.887 2.044 1.00 0.00 C ATOM 1235 CZ3 TRP A 86 -1.382 3.098 0.476 1.00 0.00 C ATOM 1236 CH2 TRP A 86 -1.545 4.426 0.890 1.00 0.00 C ATOM 0 H TRP A 86 3.523 -1.088 3.269 1.00 0.00 H new ATOM 0 HA TRP A 86 1.734 0.263 1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 86 0.381 -0.059 3.309 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.699 0.380 4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 86 1.663 2.835 5.210 1.00 0.00 H new ATOM 0 HE1 TRP A 86 0.512 5.040 4.497 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.514 1.182 0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.098 5.911 2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.849 2.767 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.135 5.100 0.287 1.00 0.00 H new ATOM 1247 N GLY A 87 3.892 1.563 1.069 1.00 0.00 N ATOM 1248 CA GLY A 87 4.934 2.560 0.911 1.00 0.00 C ATOM 1249 C GLY A 87 6.117 2.313 1.827 1.00 0.00 C ATOM 1250 O GLY A 87 6.315 3.035 2.803 1.00 0.00 O ATOM 0 H GLY A 87 3.640 1.068 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.275 2.564 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.521 3.548 1.114 1.00 0.00 H new ATOM 1254 N GLU A 88 6.903 1.288 1.512 1.00 0.00 N ATOM 1255 CA GLU A 88 8.071 0.947 2.316 1.00 0.00 C ATOM 1256 C GLU A 88 7.665 0.613 3.749 1.00 0.00 C ATOM 1257 O GLU A 88 8.299 1.062 4.704 1.00 0.00 O ATOM 1258 CB GLU A 88 9.074 2.102 2.314 1.00 0.00 C ATOM 1259 CG GLU A 88 9.880 2.206 1.030 1.00 0.00 C ATOM 1260 CD GLU A 88 11.248 2.824 1.248 1.00 0.00 C ATOM 1261 OE1 GLU A 88 11.309 4.015 1.617 1.00 0.00 O ATOM 1262 OE2 GLU A 88 12.257 2.115 1.049 1.00 0.00 O ATOM 0 H GLU A 88 6.752 0.680 0.707 1.00 0.00 H new ATOM 0 HA GLU A 88 8.541 0.068 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.538 3.038 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.758 1.979 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.999 1.212 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.327 2.804 0.306 1.00 0.00 H new ATOM 1269 N GLU A 89 6.605 -0.176 3.889 1.00 0.00 N ATOM 1270 CA GLU A 89 6.115 -0.569 5.205 1.00 0.00 C ATOM 1271 C GLU A 89 5.258 -1.828 5.114 1.00 0.00 C ATOM 1272 O GLU A 89 5.017 -2.350 4.025 1.00 0.00 O ATOM 1273 CB GLU A 89 5.304 0.568 5.832 1.00 0.00 C ATOM 1274 CG GLU A 89 6.113 1.831 6.073 1.00 0.00 C ATOM 1275 CD GLU A 89 5.408 2.809 6.993 1.00 0.00 C ATOM 1276 OE1 GLU A 89 5.327 2.528 8.207 1.00 0.00 O ATOM 1277 OE2 GLU A 89 4.936 3.854 6.499 1.00 0.00 O ATOM 0 H GLU A 89 6.069 -0.555 3.108 1.00 0.00 H new ATOM 0 HA GLU A 89 6.978 -0.783 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.462 0.804 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.888 0.227 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.078 1.563 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.314 2.317 5.118 1.00 0.00 H new ATOM 1284 N HIS A 90 4.803 -2.312 6.265 1.00 0.00 N ATOM 1285 CA HIS A 90 3.973 -3.511 6.315 1.00 0.00 C ATOM 1286 C HIS A 90 2.726 -3.273 7.161 1.00 0.00 C ATOM 1287 O HIS A 90 2.814 -3.099 8.377 1.00 0.00 O ATOM 1288 CB HIS A 90 4.771 -4.686 6.881 1.00 0.00 C ATOM 1289 CG HIS A 90 5.665 -5.342 5.875 1.00 0.00 C ATOM 1290 ND1 HIS A 90 6.709 -4.853 5.165 1.00 0.00 N flip ATOM 1291 CD2 HIS A 90 5.532 -6.661 5.497 1.00 0.00 C flip ATOM 1292 CE1 HIS A 90 7.184 -5.875 4.381 1.00 0.00 C flip ATOM 1293 NE2 HIS A 90 6.457 -6.956 4.600 1.00 0.00 N flip ATOM 0 H HIS A 90 4.995 -1.893 7.175 1.00 0.00 H new ATOM 0 HA HIS A 90 3.661 -3.750 5.298 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.375 -4.335 7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.078 -5.428 7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.788 -7.347 5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.017 -5.806 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.587 -7.864 4.153 1.00 0.00 H new ATOM 1301 N ILE A 91 1.567 -3.267 6.511 1.00 0.00 N ATOM 1302 CA ILE A 91 0.304 -3.051 7.204 1.00 0.00 C ATOM 1303 C ILE A 91 0.253 -3.833 8.512 1.00 0.00 C ATOM 1304 O ILE A 91 0.843 -4.906 8.646 1.00 0.00 O ATOM 1305 CB ILE A 91 -0.896 -3.458 6.328 1.00 0.00 C ATOM 1306 CG1 ILE A 91 -0.857 -4.961 6.040 1.00 0.00 C ATOM 1307 CG2 ILE A 91 -0.898 -2.664 5.030 1.00 0.00 C ATOM 1308 CD1 ILE A 91 -2.139 -5.493 5.438 1.00 0.00 C ATOM 0 H ILE A 91 1.477 -3.409 5.505 1.00 0.00 H new ATOM 0 HA ILE A 91 0.241 -1.984 7.419 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.815 -3.234 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.031 -5.171 5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.651 -5.495 6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.752 -2.963 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.967 -1.600 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.024 -2.860 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.040 -6.564 5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.966 -5.314 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.336 -4.985 4.494 1.00 0.00 H new ATOM 1320 N PRO A 92 -0.470 -3.287 9.501 1.00 0.00 N ATOM 1321 CA PRO A 92 -0.617 -3.919 10.815 1.00 0.00 C ATOM 1322 C PRO A 92 -1.468 -5.183 10.759 1.00 0.00 C ATOM 1323 O PRO A 92 -2.694 -5.122 10.835 1.00 0.00 O ATOM 1324 CB PRO A 92 -1.315 -2.842 11.650 1.00 0.00 C ATOM 1325 CG PRO A 92 -2.044 -2.005 10.656 1.00 0.00 C ATOM 1326 CD PRO A 92 -1.200 -2.012 9.411 1.00 0.00 C ATOM 0 HA PRO A 92 0.342 -4.240 11.222 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.000 -3.284 12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.595 -2.250 12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.036 -2.410 10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.183 -0.990 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.812 -1.962 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.520 -1.161 9.382 1.00 0.00 H new ATOM 1334 N GLY A 93 -0.808 -6.330 10.626 1.00 0.00 N ATOM 1335 CA GLY A 93 -1.520 -7.593 10.563 1.00 0.00 C ATOM 1336 C GLY A 93 -0.826 -8.606 9.674 1.00 0.00 C ATOM 1337 O GLY A 93 -1.138 -9.795 9.715 1.00 0.00 O ATOM 0 H GLY A 93 0.207 -6.407 10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.617 -8.003 11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.530 -7.419 10.191 1.00 0.00 H new ATOM 1341 N SER A 94 0.118 -8.133 8.866 1.00 0.00 N ATOM 1342 CA SER A 94 0.855 -9.005 7.958 1.00 0.00 C ATOM 1343 C SER A 94 2.206 -9.390 8.552 1.00 0.00 C ATOM 1344 O SER A 94 2.788 -8.663 9.358 1.00 0.00 O ATOM 1345 CB SER A 94 1.055 -8.317 6.607 1.00 0.00 C ATOM 1346 OG SER A 94 2.263 -8.737 5.995 1.00 0.00 O ATOM 0 H SER A 94 0.390 -7.151 8.822 1.00 0.00 H new ATOM 0 HA SER A 94 0.271 -9.913 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.214 -8.543 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.070 -7.236 6.745 1.00 0.00 H new ATOM 0 HG SER A 94 2.448 -8.173 5.215 1.00 0.00 H new ATOM 1352 N PRO A 95 2.719 -10.560 8.145 1.00 0.00 N ATOM 1353 CA PRO A 95 2.035 -11.434 7.187 1.00 0.00 C ATOM 1354 C PRO A 95 0.784 -12.075 7.777 1.00 0.00 C ATOM 1355 O PRO A 95 0.792 -12.541 8.917 1.00 0.00 O ATOM 1356 CB PRO A 95 3.084 -12.502 6.869 1.00 0.00 C ATOM 1357 CG PRO A 95 3.970 -12.531 8.066 1.00 0.00 C ATOM 1358 CD PRO A 95 4.006 -11.122 8.590 1.00 0.00 C ATOM 0 HA PRO A 95 1.687 -10.885 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.620 -13.473 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.644 -12.251 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.585 -13.218 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.970 -12.875 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.101 -11.099 9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.850 -10.564 8.185 1.00 0.00 H new ATOM 1366 N PHE A 96 -0.290 -12.095 6.995 1.00 0.00 N ATOM 1367 CA PHE A 96 -1.550 -12.679 7.441 1.00 0.00 C ATOM 1368 C PHE A 96 -1.544 -14.194 7.253 1.00 0.00 C ATOM 1369 O PHE A 96 -0.768 -14.729 6.461 1.00 0.00 O ATOM 1370 CB PHE A 96 -2.722 -12.063 6.675 1.00 0.00 C ATOM 1371 CG PHE A 96 -3.133 -10.714 7.192 1.00 0.00 C ATOM 1372 CD1 PHE A 96 -2.471 -9.569 6.782 1.00 0.00 C ATOM 1373 CD2 PHE A 96 -4.183 -10.592 8.089 1.00 0.00 C ATOM 1374 CE1 PHE A 96 -2.847 -8.326 7.257 1.00 0.00 C ATOM 1375 CE2 PHE A 96 -4.564 -9.352 8.567 1.00 0.00 C ATOM 1376 CZ PHE A 96 -3.895 -8.218 8.150 1.00 0.00 C ATOM 0 H PHE A 96 -0.313 -11.714 6.049 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.666 -12.463 8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -2.451 -11.973 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.576 -12.739 6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.651 -9.648 6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.709 -11.476 8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.322 -7.441 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.384 -9.270 9.266 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.191 -7.248 8.522 1.00 0.00 H new ATOM 1386 N HIS A 97 -2.416 -14.879 7.986 1.00 0.00 N ATOM 1387 CA HIS A 97 -2.512 -16.331 7.901 1.00 0.00 C ATOM 1388 C HIS A 97 -3.792 -16.750 7.184 1.00 0.00 C ATOM 1389 O HIS A 97 -4.875 -16.741 7.771 1.00 0.00 O ATOM 1390 CB HIS A 97 -2.470 -16.950 9.298 1.00 0.00 C ATOM 1391 CG HIS A 97 -2.560 -18.445 9.295 1.00 0.00 C ATOM 1392 ND1 HIS A 97 -3.010 -19.174 10.375 1.00 0.00 N ATOM 1393 CD2 HIS A 97 -2.258 -19.348 8.333 1.00 0.00 C ATOM 1394 CE1 HIS A 97 -2.978 -20.461 10.079 1.00 0.00 C ATOM 1395 NE2 HIS A 97 -2.525 -20.594 8.845 1.00 0.00 N ATOM 0 H HIS A 97 -3.066 -14.451 8.645 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.659 -16.693 7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.545 -16.651 9.791 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.291 -16.546 9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.878 -19.129 7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.272 -21.267 10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.395 -21.478 8.353 1.00 0.00 H new ATOM 1403 N VAL A 98 -3.662 -17.115 5.913 1.00 0.00 N ATOM 1404 CA VAL A 98 -4.808 -17.537 5.117 1.00 0.00 C ATOM 1405 C VAL A 98 -4.876 -19.057 5.013 1.00 0.00 C ATOM 1406 O VAL A 98 -3.960 -19.697 4.495 1.00 0.00 O ATOM 1407 CB VAL A 98 -4.757 -16.938 3.699 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.931 -17.434 2.868 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -4.742 -15.419 3.763 1.00 0.00 C ATOM 0 H VAL A 98 -2.774 -17.127 5.412 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.699 -17.171 5.626 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.837 -17.267 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.879 -17.001 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.891 -18.521 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.865 -17.136 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.706 -15.013 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.644 -15.067 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.865 -15.087 4.319 1.00 0.00 H new ATOM 1419 N THR A 99 -5.967 -19.630 5.510 1.00 0.00 N ATOM 1420 CA THR A 99 -6.155 -21.075 5.474 1.00 0.00 C ATOM 1421 C THR A 99 -7.206 -21.467 4.442 1.00 0.00 C ATOM 1422 O THR A 99 -8.320 -20.943 4.445 1.00 0.00 O ATOM 1423 CB THR A 99 -6.575 -21.621 6.852 1.00 0.00 C ATOM 1424 OG1 THR A 99 -5.587 -21.288 7.833 1.00 0.00 O ATOM 1425 CG2 THR A 99 -6.759 -23.130 6.802 1.00 0.00 C ATOM 0 H THR A 99 -6.734 -19.115 5.942 1.00 0.00 H new ATOM 0 HA THR A 99 -5.196 -21.512 5.195 1.00 0.00 H new ATOM 0 HB THR A 99 -7.526 -21.163 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.862 -21.637 8.706 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.055 -23.493 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.533 -23.378 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.821 -23.601 6.509 1.00 0.00 H new ATOM 1433 N VAL A 100 -6.846 -22.394 3.560 1.00 0.00 N ATOM 1434 CA VAL A 100 -7.759 -22.858 2.522 1.00 0.00 C ATOM 1435 C VAL A 100 -8.154 -24.313 2.749 1.00 0.00 C ATOM 1436 O VAL A 100 -7.309 -25.198 2.880 1.00 0.00 O ATOM 1437 CB VAL A 100 -7.135 -22.719 1.121 1.00 0.00 C ATOM 1438 CG1 VAL A 100 -8.084 -23.250 0.058 1.00 0.00 C ATOM 1439 CG2 VAL A 100 -6.767 -21.269 0.844 1.00 0.00 C ATOM 0 H VAL A 100 -5.928 -22.839 3.544 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.648 -22.230 2.578 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.222 -23.314 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.626 -23.143 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.292 -24.303 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.016 -22.685 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.327 -21.189 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.663 -20.650 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.047 -20.928 1.588 1.00 0.00 H new ATOM 1449 N PRO A 101 -9.470 -24.568 2.795 1.00 0.00 N ATOM 1450 CA PRO A 101 -10.008 -25.916 3.005 1.00 0.00 C ATOM 1451 C PRO A 101 -9.774 -26.826 1.804 1.00 0.00 C ATOM 1452 O PRO A 101 -10.559 -27.738 1.543 1.00 0.00 O ATOM 1453 CB PRO A 101 -11.505 -25.672 3.208 1.00 0.00 C ATOM 1454 CG PRO A 101 -11.780 -24.391 2.500 1.00 0.00 C ATOM 1455 CD PRO A 101 -10.534 -23.561 2.647 1.00 0.00 C ATOM 0 HA PRO A 101 -9.527 -26.422 3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.098 -26.488 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.754 -25.601 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.010 -24.567 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.641 -23.882 2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.369 -22.926 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.589 -22.904 3.515 1.00 0.00 H new TER 1463 PRO A 101