USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 10 HIS : no HE2:sc= -9.18! C(o=-9.9!,f=-15!) USER MOD Set 1.2: A 13 MET CE :methyl -177:sc= -0.911 (180deg=-0.992) USER MOD Set 1.3: A 113 SER OG : rot 170:sc= 0.171 USER MOD Set 2.1: A 69 CYS SG : rot 112:sc= 0.187 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 SER OG : rot -79:sc= 0.573 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -0.522 K(o=0.052,f=-6.8!) USER MOD Set 4.1: A 5 SER OG : rot -22:sc= 0.0442 USER MOD Set 4.2: A 86 THR OG1 : rot -52:sc= 1.26! 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 USER MOD Single : A 6 SER OG : rot 179:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-6.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.91! X(o=-1.9!,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -50:sc= -1.99 USER MOD Single : A 36 SER OG : rot 180:sc= -0.809 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.2) USER MOD Single : A 49 SER OG : rot -150:sc= 0.314 USER MOD Single : A 51 GLN : amide:sc=-0.00777 X(o=-0.0078,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -0.197 (180deg=-0.197) USER MOD Single : A 58 SER OG : rot -41:sc= 2.69 USER MOD Single : A 63 THR OG1 : rot 132:sc= 0.476 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -173:sc= -1.15 (180deg=-1.35) USER MOD Single : A 75 THR OG1 : rot 147:sc= 1.05 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.204 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.836 F(o=-3.6,f=-0.84) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -128:sc= -1.51 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.617 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 20:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.568 1.415 -19.966 1.00 0.00 N ATOM 2 CA GLY A 1 9.531 2.347 -19.406 1.00 0.00 C ATOM 3 C GLY A 1 8.915 3.737 -19.236 1.00 0.00 C ATOM 4 O GLY A 1 8.459 4.341 -20.205 1.00 0.00 O ATOM 0 H1 GLY A 1 9.011 0.480 -20.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.748 1.340 -19.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.255 1.757 -20.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.879 1.979 -18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.403 2.409 -20.057 1.00 0.00 H new ATOM 8 N SER A 2 8.920 4.204 -17.996 1.00 0.00 N ATOM 9 CA SER A 2 8.366 5.511 -17.686 1.00 0.00 C ATOM 10 C SER A 2 9.496 6.523 -17.482 1.00 0.00 C ATOM 11 O SER A 2 10.640 6.141 -17.238 1.00 0.00 O ATOM 12 CB SER A 2 7.476 5.452 -16.443 1.00 0.00 C ATOM 13 OG SER A 2 6.160 5.002 -16.750 1.00 0.00 O ATOM 0 H SER A 2 9.299 3.700 -17.194 1.00 0.00 H new ATOM 0 HA SER A 2 7.749 5.829 -18.526 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.925 4.785 -15.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.424 6.441 -15.987 1.00 0.00 H new ATOM 0 HG SER A 2 5.623 4.976 -15.930 1.00 0.00 H new ATOM 19 N SER A 3 9.136 7.793 -17.589 1.00 0.00 N ATOM 20 CA SER A 3 10.105 8.862 -17.419 1.00 0.00 C ATOM 21 C SER A 3 9.480 10.016 -16.632 1.00 0.00 C ATOM 22 O SER A 3 8.701 10.795 -17.180 1.00 0.00 O ATOM 23 CB SER A 3 10.619 9.360 -18.772 1.00 0.00 C ATOM 24 OG SER A 3 11.804 8.679 -19.176 1.00 0.00 O ATOM 0 H SER A 3 8.187 8.106 -17.791 1.00 0.00 H new ATOM 0 HA SER A 3 10.954 8.468 -16.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.845 9.221 -19.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.818 10.430 -18.713 1.00 0.00 H new ATOM 0 HG SER A 3 12.100 9.024 -20.044 1.00 0.00 H new ATOM 30 N GLY A 4 9.844 10.088 -15.361 1.00 0.00 N ATOM 31 CA GLY A 4 9.328 11.133 -14.493 1.00 0.00 C ATOM 32 C GLY A 4 8.932 10.567 -13.128 1.00 0.00 C ATOM 33 O GLY A 4 9.768 10.450 -12.234 1.00 0.00 O ATOM 0 H GLY A 4 10.490 9.440 -14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.083 11.909 -14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.463 11.604 -14.960 1.00 0.00 H new ATOM 37 N SER A 5 7.656 10.230 -13.010 1.00 0.00 N ATOM 38 CA SER A 5 7.138 9.679 -11.770 1.00 0.00 C ATOM 39 C SER A 5 5.641 9.394 -11.908 1.00 0.00 C ATOM 40 O SER A 5 4.875 10.266 -12.314 1.00 0.00 O ATOM 41 CB SER A 5 7.392 10.628 -10.597 1.00 0.00 C ATOM 42 OG SER A 5 7.713 9.924 -9.400 1.00 0.00 O ATOM 0 H SER A 5 6.965 10.328 -13.754 1.00 0.00 H new ATOM 0 HA SER A 5 7.661 8.745 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.208 11.305 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.507 11.243 -10.430 1.00 0.00 H new ATOM 0 HG SER A 5 7.374 9.007 -9.459 1.00 0.00 H new ATOM 48 N SER A 6 5.270 8.170 -11.561 1.00 0.00 N ATOM 49 CA SER A 6 3.878 7.760 -11.641 1.00 0.00 C ATOM 50 C SER A 6 3.002 8.722 -10.836 1.00 0.00 C ATOM 51 O SER A 6 3.486 9.734 -10.332 1.00 0.00 O ATOM 52 CB SER A 6 3.697 6.327 -11.135 1.00 0.00 C ATOM 53 OG SER A 6 3.783 5.374 -12.190 1.00 0.00 O ATOM 0 H SER A 6 5.909 7.449 -11.224 1.00 0.00 H new ATOM 0 HA SER A 6 3.572 7.789 -12.687 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.458 6.108 -10.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.729 6.236 -10.642 1.00 0.00 H new ATOM 0 HG SER A 6 3.674 4.471 -11.825 1.00 0.00 H new ATOM 59 N GLY A 7 1.727 8.373 -10.742 1.00 0.00 N ATOM 60 CA GLY A 7 0.779 9.193 -10.008 1.00 0.00 C ATOM 61 C GLY A 7 -0.249 8.324 -9.280 1.00 0.00 C ATOM 62 O GLY A 7 -1.421 8.299 -9.652 1.00 0.00 O ATOM 0 H GLY A 7 1.329 7.533 -11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.311 9.814 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.269 9.868 -10.695 1.00 0.00 H new ATOM 66 N TRP A 8 0.228 7.632 -8.256 1.00 0.00 N ATOM 67 CA TRP A 8 -0.635 6.764 -7.472 1.00 0.00 C ATOM 68 C TRP A 8 -0.881 7.436 -6.120 1.00 0.00 C ATOM 69 O TRP A 8 -1.816 7.079 -5.406 1.00 0.00 O ATOM 70 CB TRP A 8 -0.033 5.363 -7.343 1.00 0.00 C ATOM 71 CG TRP A 8 1.424 5.268 -7.802 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.917 4.589 -8.847 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.563 5.903 -7.184 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.285 4.740 -8.947 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.691 5.564 -7.904 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.639 6.736 -6.054 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.975 6.013 -7.573 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.929 7.176 -5.737 1.00 0.00 C ATOM 79 CH2 TRP A 8 5.074 6.844 -6.451 1.00 0.00 C ATOM 0 H TRP A 8 1.201 7.655 -7.951 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.594 6.624 -7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.097 5.045 -6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.634 4.665 -7.927 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.319 3.998 -9.525 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.888 4.323 -9.656 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.770 7.014 -5.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.843 5.733 -8.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.043 7.819 -4.877 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.036 7.225 -6.142 1.00 0.00 H new ATOM 90 N TYR A 9 -0.024 8.398 -5.809 1.00 0.00 N ATOM 91 CA TYR A 9 -0.136 9.123 -4.555 1.00 0.00 C ATOM 92 C TYR A 9 -1.479 9.849 -4.460 1.00 0.00 C ATOM 93 O TYR A 9 -1.646 10.931 -5.022 1.00 0.00 O ATOM 94 CB TYR A 9 0.991 10.159 -4.565 1.00 0.00 C ATOM 95 CG TYR A 9 1.105 10.966 -3.271 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.584 10.366 -2.124 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.730 12.294 -3.250 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.692 11.126 -0.905 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.838 13.054 -2.032 1.00 0.00 C ATOM 100 CZ TYR A 9 1.313 12.432 -0.919 1.00 0.00 C ATOM 101 OH TYR A 9 1.415 13.150 0.231 1.00 0.00 O ATOM 0 H TYR A 9 0.751 8.692 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.068 8.439 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.937 9.650 -4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.832 10.846 -5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.878 9.327 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.355 12.763 -4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.065 10.669 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.549 14.094 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 9 1.110 14.068 0.072 1.00 0.00 H new ATOM 111 N HIS A 10 -2.403 9.225 -3.744 1.00 0.00 N ATOM 112 CA HIS A 10 -3.727 9.799 -3.568 1.00 0.00 C ATOM 113 C HIS A 10 -3.635 11.034 -2.671 1.00 0.00 C ATOM 114 O HIS A 10 -4.457 11.944 -2.775 1.00 0.00 O ATOM 115 CB HIS A 10 -4.706 8.750 -3.036 1.00 0.00 C ATOM 116 CG HIS A 10 -5.043 7.664 -4.030 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.193 7.682 -4.799 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.368 6.529 -4.372 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.200 6.601 -5.566 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.069 5.888 -5.299 1.00 0.00 N ATOM 0 H HIS A 10 -2.261 8.328 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.120 10.122 -4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.281 8.292 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.626 9.248 -2.732 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.913 8.404 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.424 6.207 -3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.967 6.332 -6.277 1.00 0.00 H new ATOM 128 N GLY A 11 -2.629 11.027 -1.808 1.00 0.00 N ATOM 129 CA GLY A 11 -2.420 12.136 -0.893 1.00 0.00 C ATOM 130 C GLY A 11 -2.796 11.745 0.537 1.00 0.00 C ATOM 131 O GLY A 11 -2.446 10.660 1.000 1.00 0.00 O ATOM 0 H GLY A 11 -1.950 10.271 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.376 12.448 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.018 12.991 -1.209 1.00 0.00 H new ATOM 135 N HIS A 12 -3.504 12.649 1.198 1.00 0.00 N ATOM 136 CA HIS A 12 -3.931 12.412 2.566 1.00 0.00 C ATOM 137 C HIS A 12 -5.210 11.573 2.566 1.00 0.00 C ATOM 138 O HIS A 12 -6.313 12.115 2.507 1.00 0.00 O ATOM 139 CB HIS A 12 -4.088 13.732 3.323 1.00 0.00 C ATOM 140 CG HIS A 12 -2.782 14.345 3.768 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.109 15.298 3.024 1.00 0.00 N ATOM 142 CD2 HIS A 12 -2.032 14.130 4.887 1.00 0.00 C ATOM 143 CE1 HIS A 12 -1.005 15.635 3.676 1.00 0.00 C ATOM 144 NE2 HIS A 12 -0.960 14.909 4.830 1.00 0.00 N ATOM 0 H HIS A 12 -3.793 13.547 0.811 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.166 11.845 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.613 14.444 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.716 13.564 4.198 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.271 13.442 5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.271 16.357 3.351 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.223 14.957 5.534 1.00 0.00 H new ATOM 152 N MET A 13 -5.021 10.263 2.634 1.00 0.00 N ATOM 153 CA MET A 13 -6.145 9.343 2.643 1.00 0.00 C ATOM 154 C MET A 13 -6.275 8.648 4.000 1.00 0.00 C ATOM 155 O MET A 13 -5.276 8.409 4.676 1.00 0.00 O ATOM 156 CB MET A 13 -5.955 8.293 1.547 1.00 0.00 C ATOM 157 CG MET A 13 -7.211 7.434 1.385 1.00 0.00 C ATOM 158 SD MET A 13 -6.946 6.195 0.129 1.00 0.00 S ATOM 159 CE MET A 13 -7.543 7.074 -1.305 1.00 0.00 C ATOM 0 H MET A 13 -4.105 9.817 2.683 1.00 0.00 H new ATOM 0 HA MET A 13 -7.057 9.912 2.459 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.723 8.786 0.603 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.104 7.657 1.792 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.459 6.956 2.333 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.059 8.063 1.114 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.499 6.421 -2.177 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.574 7.386 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.921 7.953 -1.478 1.00 0.00 H new ATOM 169 N SER A 14 -7.514 8.344 4.357 1.00 0.00 N ATOM 170 CA SER A 14 -7.787 7.681 5.621 1.00 0.00 C ATOM 171 C SER A 14 -7.651 6.166 5.458 1.00 0.00 C ATOM 172 O SER A 14 -8.298 5.570 4.598 1.00 0.00 O ATOM 173 CB SER A 14 -9.183 8.036 6.138 1.00 0.00 C ATOM 174 OG SER A 14 -9.179 8.314 7.536 1.00 0.00 O ATOM 0 H SER A 14 -8.340 8.544 3.793 1.00 0.00 H new ATOM 0 HA SER A 14 -7.058 8.028 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.560 8.904 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.866 7.211 5.934 1.00 0.00 H new ATOM 0 HG SER A 14 -10.087 8.538 7.828 1.00 0.00 H new ATOM 180 N GLY A 15 -6.805 5.587 6.297 1.00 0.00 N ATOM 181 CA GLY A 15 -6.576 4.152 6.256 1.00 0.00 C ATOM 182 C GLY A 15 -7.875 3.397 5.970 1.00 0.00 C ATOM 183 O GLY A 15 -7.998 2.734 4.941 1.00 0.00 O ATOM 0 H GLY A 15 -6.270 6.085 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.839 3.920 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.160 3.819 7.207 1.00 0.00 H new ATOM 187 N GLY A 16 -8.812 3.523 6.899 1.00 0.00 N ATOM 188 CA GLY A 16 -10.097 2.860 6.759 1.00 0.00 C ATOM 189 C GLY A 16 -10.674 3.071 5.357 1.00 0.00 C ATOM 190 O GLY A 16 -11.275 2.162 4.786 1.00 0.00 O ATOM 0 H GLY A 16 -8.707 4.074 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.983 1.793 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.792 3.246 7.504 1.00 0.00 H new ATOM 194 N GLN A 17 -10.469 4.275 4.843 1.00 0.00 N ATOM 195 CA GLN A 17 -10.961 4.617 3.519 1.00 0.00 C ATOM 196 C GLN A 17 -10.297 3.732 2.462 1.00 0.00 C ATOM 197 O GLN A 17 -10.971 2.963 1.778 1.00 0.00 O ATOM 198 CB GLN A 17 -10.734 6.099 3.216 1.00 0.00 C ATOM 199 CG GLN A 17 -12.030 6.769 2.754 1.00 0.00 C ATOM 200 CD GLN A 17 -11.992 8.276 3.017 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.214 8.745 4.121 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.699 9.004 1.943 1.00 0.00 N ATOM 0 H GLN A 17 -9.969 5.026 5.319 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.036 4.436 3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.358 6.602 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.971 6.203 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.179 6.586 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.878 6.326 3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.524 8.546 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.649 10.020 2.014 1.00 0.00 H new ATOM 211 N ALA A 18 -8.983 3.871 2.361 1.00 0.00 N ATOM 212 CA ALA A 18 -8.220 3.095 1.398 1.00 0.00 C ATOM 213 C ALA A 18 -8.790 1.676 1.328 1.00 0.00 C ATOM 214 O ALA A 18 -9.068 1.168 0.244 1.00 0.00 O ATOM 215 CB ALA A 18 -6.741 3.111 1.787 1.00 0.00 C ATOM 0 H ALA A 18 -8.427 4.509 2.930 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.300 3.532 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.169 2.529 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.378 4.139 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.621 2.677 2.780 1.00 0.00 H new ATOM 221 N GLU A 19 -8.945 1.077 2.500 1.00 0.00 N ATOM 222 CA GLU A 19 -9.476 -0.273 2.585 1.00 0.00 C ATOM 223 C GLU A 19 -10.788 -0.378 1.806 1.00 0.00 C ATOM 224 O GLU A 19 -10.976 -1.307 1.021 1.00 0.00 O ATOM 225 CB GLU A 19 -9.670 -0.695 4.043 1.00 0.00 C ATOM 226 CG GLU A 19 -8.458 -1.477 4.553 1.00 0.00 C ATOM 227 CD GLU A 19 -8.889 -2.790 5.209 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.914 -3.341 4.754 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.183 -3.214 6.150 1.00 0.00 O ATOM 0 H GLU A 19 -8.712 1.502 3.398 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.754 -0.955 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.825 0.188 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.567 -1.308 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.781 -1.685 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.906 -0.871 5.272 1.00 0.00 H new ATOM 236 N THR A 20 -11.662 0.588 2.048 1.00 0.00 N ATOM 237 CA THR A 20 -12.951 0.616 1.378 1.00 0.00 C ATOM 238 C THR A 20 -12.777 0.977 -0.099 1.00 0.00 C ATOM 239 O THR A 20 -13.473 0.439 -0.959 1.00 0.00 O ATOM 240 CB THR A 20 -13.858 1.587 2.138 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.429 0.791 3.173 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.061 2.036 1.307 1.00 0.00 C ATOM 0 H THR A 20 -11.503 1.357 2.699 1.00 0.00 H new ATOM 0 HA THR A 20 -13.423 -0.367 1.387 1.00 0.00 H new ATOM 0 HB THR A 20 -13.281 2.460 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.030 1.343 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.672 2.723 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.713 2.539 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.657 1.166 1.031 1.00 0.00 H new ATOM 250 N LEU A 21 -11.845 1.885 -0.347 1.00 0.00 N ATOM 251 CA LEU A 21 -11.571 2.324 -1.705 1.00 0.00 C ATOM 252 C LEU A 21 -11.061 1.138 -2.526 1.00 0.00 C ATOM 253 O LEU A 21 -11.636 0.802 -3.561 1.00 0.00 O ATOM 254 CB LEU A 21 -10.620 3.522 -1.699 1.00 0.00 C ATOM 255 CG LEU A 21 -11.236 4.865 -1.303 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.872 5.233 0.137 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.839 5.963 -2.292 1.00 0.00 C ATOM 0 H LEU A 21 -11.270 2.329 0.369 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.485 2.675 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.799 3.306 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.188 3.622 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.321 4.768 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.323 6.192 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.245 4.465 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.788 5.305 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.290 6.907 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.754 6.066 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.190 5.698 -3.290 1.00 0.00 H new ATOM 269 N LEU A 22 -9.988 0.536 -2.035 1.00 0.00 N ATOM 270 CA LEU A 22 -9.394 -0.605 -2.710 1.00 0.00 C ATOM 271 C LEU A 22 -10.454 -1.693 -2.891 1.00 0.00 C ATOM 272 O LEU A 22 -10.501 -2.353 -3.928 1.00 0.00 O ATOM 273 CB LEU A 22 -8.146 -1.080 -1.963 1.00 0.00 C ATOM 274 CG LEU A 22 -6.885 -0.237 -2.161 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.868 -0.502 -1.049 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.286 -0.464 -3.551 1.00 0.00 C ATOM 0 H LEU A 22 -9.514 0.817 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.052 -0.323 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.374 -1.112 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.928 -2.102 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.164 0.815 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.981 0.110 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.309 -0.249 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.588 -1.555 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.391 0.147 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.025 -1.516 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.015 -0.185 -4.311 1.00 0.00 H new ATOM 288 N GLN A 23 -11.279 -1.847 -1.866 1.00 0.00 N ATOM 289 CA GLN A 23 -12.336 -2.844 -1.898 1.00 0.00 C ATOM 290 C GLN A 23 -13.411 -2.445 -2.911 1.00 0.00 C ATOM 291 O GLN A 23 -13.782 -3.240 -3.773 1.00 0.00 O ATOM 292 CB GLN A 23 -12.941 -3.047 -0.508 1.00 0.00 C ATOM 293 CG GLN A 23 -12.032 -3.916 0.364 1.00 0.00 C ATOM 294 CD GLN A 23 -12.638 -4.121 1.754 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.488 -3.371 2.205 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.154 -5.175 2.405 1.00 0.00 N ATOM 0 H GLN A 23 -11.237 -1.298 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.903 -3.794 -2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.094 -2.080 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.921 -3.516 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.878 -4.883 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.053 -3.446 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.443 -5.762 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.494 -5.397 3.341 1.00 0.00 H new ATOM 305 N ALA A 24 -13.881 -1.214 -2.773 1.00 0.00 N ATOM 306 CA ALA A 24 -14.906 -0.701 -3.666 1.00 0.00 C ATOM 307 C ALA A 24 -14.528 -1.028 -5.112 1.00 0.00 C ATOM 308 O ALA A 24 -15.399 -1.282 -5.942 1.00 0.00 O ATOM 309 CB ALA A 24 -15.079 0.802 -3.434 1.00 0.00 C ATOM 0 H ALA A 24 -13.571 -0.557 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.866 -1.176 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.848 1.187 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.376 0.979 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.136 1.312 -3.633 1.00 0.00 H new ATOM 315 N LYS A 25 -13.228 -1.011 -5.368 1.00 0.00 N ATOM 316 CA LYS A 25 -12.725 -1.302 -6.700 1.00 0.00 C ATOM 317 C LYS A 25 -12.778 -2.812 -6.941 1.00 0.00 C ATOM 318 O LYS A 25 -13.445 -3.274 -7.865 1.00 0.00 O ATOM 319 CB LYS A 25 -11.332 -0.698 -6.890 1.00 0.00 C ATOM 320 CG LYS A 25 -11.110 -0.278 -8.344 1.00 0.00 C ATOM 321 CD LYS A 25 -11.874 1.008 -8.666 1.00 0.00 C ATOM 322 CE LYS A 25 -11.638 1.438 -10.115 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.845 2.096 -10.663 1.00 0.00 N ATOM 0 H LYS A 25 -12.508 -0.800 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.356 -0.835 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.214 0.166 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.574 -1.425 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.046 -0.128 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.437 -1.076 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.940 0.854 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.556 1.803 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.790 2.121 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.383 0.569 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.668 2.382 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.646 1.433 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.071 2.937 -10.094 1.00 0.00 H new ATOM 337 N GLY A 26 -12.066 -3.540 -6.093 1.00 0.00 N ATOM 338 CA GLY A 26 -12.024 -4.989 -6.202 1.00 0.00 C ATOM 339 C GLY A 26 -10.778 -5.445 -6.963 1.00 0.00 C ATOM 340 O GLY A 26 -10.350 -6.591 -6.831 1.00 0.00 O ATOM 0 H GLY A 26 -11.514 -3.154 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.029 -5.433 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.918 -5.345 -6.714 1.00 0.00 H new ATOM 344 N GLU A 27 -10.230 -4.525 -7.743 1.00 0.00 N ATOM 345 CA GLU A 27 -9.041 -4.818 -8.526 1.00 0.00 C ATOM 346 C GLU A 27 -7.979 -5.484 -7.648 1.00 0.00 C ATOM 347 O GLU A 27 -7.440 -4.858 -6.737 1.00 0.00 O ATOM 348 CB GLU A 27 -8.492 -3.551 -9.185 1.00 0.00 C ATOM 349 CG GLU A 27 -9.260 -3.223 -10.466 1.00 0.00 C ATOM 350 CD GLU A 27 -9.143 -1.737 -10.810 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.164 -1.120 -10.336 1.00 0.00 O ATOM 352 OE2 GLU A 27 -10.034 -1.251 -11.539 1.00 0.00 O ATOM 0 H GLU A 27 -10.587 -3.576 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.315 -5.511 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.564 -2.715 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.435 -3.685 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.873 -3.822 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.310 -3.490 -10.343 1.00 0.00 H new ATOM 359 N PRO A 28 -7.703 -6.778 -7.962 1.00 0.00 N ATOM 360 CA PRO A 28 -6.716 -7.536 -7.212 1.00 0.00 C ATOM 361 C PRO A 28 -5.296 -7.107 -7.586 1.00 0.00 C ATOM 362 O PRO A 28 -5.002 -6.875 -8.758 1.00 0.00 O ATOM 363 CB PRO A 28 -7.003 -8.992 -7.542 1.00 0.00 C ATOM 364 CG PRO A 28 -7.832 -8.974 -8.816 1.00 0.00 C ATOM 365 CD PRO A 28 -8.322 -7.552 -9.034 1.00 0.00 C ATOM 0 HA PRO A 28 -6.782 -7.365 -6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.078 -9.550 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.545 -9.477 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.234 -9.306 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.675 -9.660 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.027 -7.177 -10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.409 -7.496 -8.986 1.00 0.00 H new ATOM 373 N TRP A 29 -4.452 -7.014 -6.569 1.00 0.00 N ATOM 374 CA TRP A 29 -3.070 -6.617 -6.777 1.00 0.00 C ATOM 375 C TRP A 29 -3.053 -5.127 -7.122 1.00 0.00 C ATOM 376 O TRP A 29 -2.309 -4.698 -8.002 1.00 0.00 O ATOM 377 CB TRP A 29 -2.405 -7.486 -7.846 1.00 0.00 C ATOM 378 CG TRP A 29 -2.503 -8.989 -7.577 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.929 -9.949 -8.409 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.151 -9.668 -6.354 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.876 -11.193 -7.813 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.388 -11.017 -6.524 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.647 -9.160 -5.143 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.152 -11.969 -5.525 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.417 -10.125 -4.155 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.650 -11.486 -4.311 1.00 0.00 C ATOM 0 H TRP A 29 -4.699 -7.207 -5.598 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.484 -6.771 -5.871 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.862 -7.270 -8.811 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.354 -7.209 -7.922 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.271 -9.772 -9.418 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.146 -12.079 -8.240 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.453 -8.109 -4.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.347 -13.020 -5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.031 -9.788 -3.204 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.445 -12.168 -3.499 1.00 0.00 H new ATOM 397 N THR A 30 -3.882 -4.377 -6.410 1.00 0.00 N ATOM 398 CA THR A 30 -3.972 -2.944 -6.629 1.00 0.00 C ATOM 399 C THR A 30 -3.382 -2.184 -5.440 1.00 0.00 C ATOM 400 O THR A 30 -3.894 -2.275 -4.325 1.00 0.00 O ATOM 401 CB THR A 30 -5.436 -2.599 -6.906 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.778 -3.407 -8.029 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.615 -1.165 -7.410 1.00 0.00 C ATOM 0 H THR A 30 -4.498 -4.736 -5.680 1.00 0.00 H new ATOM 0 HA THR A 30 -3.382 -2.638 -7.493 1.00 0.00 H new ATOM 0 HB THR A 30 -6.019 -2.739 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.102 -3.295 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.672 -0.972 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.242 -0.467 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.058 -1.033 -8.338 1.00 0.00 H new ATOM 411 N PHE A 31 -2.314 -1.451 -5.717 1.00 0.00 N ATOM 412 CA PHE A 31 -1.649 -0.676 -4.683 1.00 0.00 C ATOM 413 C PHE A 31 -1.932 0.819 -4.852 1.00 0.00 C ATOM 414 O PHE A 31 -2.428 1.247 -5.893 1.00 0.00 O ATOM 415 CB PHE A 31 -0.147 -0.919 -4.838 1.00 0.00 C ATOM 416 CG PHE A 31 0.529 -0.007 -5.863 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.378 -0.249 -7.193 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.281 1.046 -5.445 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.006 0.598 -8.145 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.908 1.893 -6.397 1.00 0.00 C ATOM 421 CZ PHE A 31 1.757 1.651 -7.727 1.00 0.00 C ATOM 0 H PHE A 31 -1.892 -1.377 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.011 -0.979 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.335 -0.780 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.014 -1.957 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.219 -1.085 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.401 1.238 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.887 0.405 -9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.505 2.730 -6.065 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.234 2.295 -8.451 1.00 0.00 H new ATOM 431 N LEU A 32 -1.604 1.571 -3.812 1.00 0.00 N ATOM 432 CA LEU A 32 -1.816 3.008 -3.832 1.00 0.00 C ATOM 433 C LEU A 32 -1.002 3.655 -2.709 1.00 0.00 C ATOM 434 O LEU A 32 -0.911 3.111 -1.610 1.00 0.00 O ATOM 435 CB LEU A 32 -3.311 3.330 -3.771 1.00 0.00 C ATOM 436 CG LEU A 32 -3.927 3.393 -2.372 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.412 4.609 -1.600 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.455 3.365 -2.444 1.00 0.00 C ATOM 0 H LEU A 32 -1.193 1.212 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.460 3.432 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.476 4.289 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.848 2.578 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.614 2.506 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.866 4.630 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.328 4.545 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.675 5.520 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.868 3.411 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.808 4.221 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.780 2.444 -2.927 1.00 0.00 H new ATOM 450 N VAL A 33 -0.430 4.808 -3.025 1.00 0.00 N ATOM 451 CA VAL A 33 0.374 5.535 -2.057 1.00 0.00 C ATOM 452 C VAL A 33 -0.486 6.611 -1.393 1.00 0.00 C ATOM 453 O VAL A 33 -1.193 7.353 -2.072 1.00 0.00 O ATOM 454 CB VAL A 33 1.623 6.102 -2.735 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.629 6.604 -1.697 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.262 5.065 -3.661 1.00 0.00 C ATOM 0 H VAL A 33 -0.507 5.257 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 33 0.723 4.866 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 33 1.317 6.952 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.508 7.002 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.170 7.389 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.927 5.779 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.148 5.493 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.547 4.187 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.547 4.775 -4.431 1.00 0.00 H new ATOM 466 N ARG A 34 -0.398 6.662 -0.071 1.00 0.00 N ATOM 467 CA ARG A 34 -1.159 7.635 0.693 1.00 0.00 C ATOM 468 C ARG A 34 -0.363 8.088 1.919 1.00 0.00 C ATOM 469 O ARG A 34 0.392 7.307 2.496 1.00 0.00 O ATOM 470 CB ARG A 34 -2.498 7.052 1.149 1.00 0.00 C ATOM 471 CG ARG A 34 -2.301 6.059 2.297 1.00 0.00 C ATOM 472 CD ARG A 34 -3.626 5.400 2.685 1.00 0.00 C ATOM 473 NE ARG A 34 -3.437 4.552 3.884 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.465 5.013 5.141 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.673 6.317 5.373 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.284 4.171 6.168 1.00 0.00 N ATOM 0 H ARG A 34 0.189 6.045 0.490 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.350 8.490 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.159 7.857 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.986 6.553 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.583 5.294 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.881 6.575 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.377 6.164 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.998 4.796 1.857 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.275 3.555 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.810 6.958 4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.694 6.668 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.125 3.179 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.305 4.522 7.125 1.00 0.00 H new ATOM 490 N GLU A 35 -0.559 9.347 2.280 1.00 0.00 N ATOM 491 CA GLU A 35 0.131 9.913 3.427 1.00 0.00 C ATOM 492 C GLU A 35 -0.471 9.375 4.727 1.00 0.00 C ATOM 493 O GLU A 35 -1.688 9.230 4.838 1.00 0.00 O ATOM 494 CB GLU A 35 0.088 11.442 3.394 1.00 0.00 C ATOM 495 CG GLU A 35 1.474 12.035 3.652 1.00 0.00 C ATOM 496 CD GLU A 35 1.366 13.437 4.256 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.172 13.511 5.488 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.481 14.403 3.471 1.00 0.00 O ATOM 0 H GLU A 35 -1.186 9.992 1.799 1.00 0.00 H new ATOM 0 HA GLU A 35 1.177 9.611 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.281 11.778 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.613 11.806 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.031 11.386 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.034 12.079 2.718 1.00 0.00 H new ATOM 505 N SER A 36 0.408 9.095 5.677 1.00 0.00 N ATOM 506 CA SER A 36 -0.022 8.577 6.965 1.00 0.00 C ATOM 507 C SER A 36 -0.591 9.710 7.822 1.00 0.00 C ATOM 508 O SER A 36 -0.090 10.833 7.783 1.00 0.00 O ATOM 509 CB SER A 36 1.133 7.888 7.695 1.00 0.00 C ATOM 510 OG SER A 36 0.780 6.581 8.139 1.00 0.00 O ATOM 0 H SER A 36 1.416 9.217 5.581 1.00 0.00 H new ATOM 0 HA SER A 36 -0.801 7.835 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.995 7.825 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.433 8.493 8.551 1.00 0.00 H new ATOM 0 HG SER A 36 1.544 6.174 8.598 1.00 0.00 H new ATOM 516 N LEU A 37 -1.628 9.376 8.575 1.00 0.00 N ATOM 517 CA LEU A 37 -2.270 10.351 9.439 1.00 0.00 C ATOM 518 C LEU A 37 -1.670 10.255 10.843 1.00 0.00 C ATOM 519 O LEU A 37 -1.257 11.262 11.416 1.00 0.00 O ATOM 520 CB LEU A 37 -3.790 10.177 9.407 1.00 0.00 C ATOM 521 CG LEU A 37 -4.489 10.628 8.122 1.00 0.00 C ATOM 522 CD1 LEU A 37 -5.976 10.267 8.152 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.266 12.120 7.871 1.00 0.00 C ATOM 0 H LEU A 37 -2.040 8.443 8.605 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.080 11.362 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.019 9.124 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.217 10.731 10.243 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.044 10.091 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.450 10.598 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.086 9.187 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.453 10.758 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.773 12.414 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.667 12.693 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.198 12.317 7.775 1.00 0.00 H new ATOM 535 N SER A 38 -1.641 9.034 11.357 1.00 0.00 N ATOM 536 CA SER A 38 -1.099 8.793 12.684 1.00 0.00 C ATOM 537 C SER A 38 0.397 9.112 12.703 1.00 0.00 C ATOM 538 O SER A 38 0.956 9.424 13.754 1.00 0.00 O ATOM 539 CB SER A 38 -1.339 7.347 13.123 1.00 0.00 C ATOM 540 OG SER A 38 -2.661 7.152 13.618 1.00 0.00 O ATOM 0 H SER A 38 -1.984 8.201 10.879 1.00 0.00 H new ATOM 0 HA SER A 38 -1.613 9.448 13.388 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.165 6.679 12.280 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.619 7.079 13.896 1.00 0.00 H new ATOM 0 HG SER A 38 -2.775 6.216 13.886 1.00 0.00 H new ATOM 546 N GLN A 39 1.004 9.023 11.528 1.00 0.00 N ATOM 547 CA GLN A 39 2.425 9.299 11.397 1.00 0.00 C ATOM 548 C GLN A 39 2.654 10.451 10.417 1.00 0.00 C ATOM 549 O GLN A 39 2.568 10.265 9.204 1.00 0.00 O ATOM 550 CB GLN A 39 3.188 8.047 10.960 1.00 0.00 C ATOM 551 CG GLN A 39 3.479 7.137 12.155 1.00 0.00 C ATOM 552 CD GLN A 39 4.453 7.805 13.128 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.576 8.142 12.790 1.00 0.00 O ATOM 554 NE2 GLN A 39 3.962 7.978 14.352 1.00 0.00 N ATOM 0 H GLN A 39 0.538 8.764 10.659 1.00 0.00 H new ATOM 0 HA GLN A 39 2.809 9.597 12.373 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.605 7.502 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.124 8.336 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.549 6.900 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.899 6.194 11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.013 7.673 14.569 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.534 8.416 15.074 1.00 0.00 H new ATOM 563 N PRO A 40 2.948 11.647 10.993 1.00 0.00 N ATOM 564 CA PRO A 40 3.190 12.829 10.184 1.00 0.00 C ATOM 565 C PRO A 40 4.569 12.769 9.524 1.00 0.00 C ATOM 566 O PRO A 40 5.590 12.896 10.198 1.00 0.00 O ATOM 567 CB PRO A 40 3.040 13.999 11.142 1.00 0.00 C ATOM 568 CG PRO A 40 3.181 13.415 12.538 1.00 0.00 C ATOM 569 CD PRO A 40 3.058 11.904 12.426 1.00 0.00 C ATOM 0 HA PRO A 40 2.491 12.920 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.802 14.756 10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.072 14.484 11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.143 13.689 12.971 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.410 13.813 13.198 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.927 11.403 12.853 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.183 11.537 12.963 1.00 0.00 H new ATOM 577 N GLY A 41 4.554 12.575 8.213 1.00 0.00 N ATOM 578 CA GLY A 41 5.791 12.496 7.455 1.00 0.00 C ATOM 579 C GLY A 41 5.947 11.121 6.802 1.00 0.00 C ATOM 580 O GLY A 41 6.616 10.989 5.778 1.00 0.00 O ATOM 0 H GLY A 41 3.705 12.470 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.802 13.270 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.638 12.688 8.113 1.00 0.00 H new ATOM 584 N ASP A 42 5.319 10.133 7.421 1.00 0.00 N ATOM 585 CA ASP A 42 5.380 8.773 6.913 1.00 0.00 C ATOM 586 C ASP A 42 4.250 8.559 5.904 1.00 0.00 C ATOM 587 O ASP A 42 3.307 9.346 5.847 1.00 0.00 O ATOM 588 CB ASP A 42 5.206 7.755 8.042 1.00 0.00 C ATOM 589 CG ASP A 42 6.264 7.823 9.144 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.031 8.810 9.135 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.284 6.886 9.971 1.00 0.00 O ATOM 0 H ASP A 42 4.765 10.247 8.270 1.00 0.00 H new ATOM 0 HA ASP A 42 6.355 8.630 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.224 7.900 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.215 6.753 7.612 1.00 0.00 H new ATOM 596 N PHE A 43 4.383 7.490 5.133 1.00 0.00 N ATOM 597 CA PHE A 43 3.385 7.162 4.129 1.00 0.00 C ATOM 598 C PHE A 43 2.909 5.716 4.281 1.00 0.00 C ATOM 599 O PHE A 43 3.609 4.885 4.858 1.00 0.00 O ATOM 600 CB PHE A 43 4.055 7.325 2.763 1.00 0.00 C ATOM 601 CG PHE A 43 4.572 8.738 2.488 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.806 9.107 2.925 1.00 0.00 C ATOM 603 CD2 PHE A 43 3.798 9.625 1.807 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.286 10.419 2.669 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.278 10.937 1.552 1.00 0.00 C ATOM 606 CZ PHE A 43 5.512 11.306 1.989 1.00 0.00 C ATOM 0 H PHE A 43 5.167 6.839 5.183 1.00 0.00 H new ATOM 0 HA PHE A 43 2.519 7.815 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.887 6.625 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.342 7.052 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.420 8.403 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.818 9.332 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.266 10.712 3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.663 11.641 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.877 12.304 1.796 1.00 0.00 H new ATOM 616 N VAL A 44 1.721 5.460 3.753 1.00 0.00 N ATOM 617 CA VAL A 44 1.142 4.129 3.823 1.00 0.00 C ATOM 618 C VAL A 44 0.933 3.593 2.405 1.00 0.00 C ATOM 619 O VAL A 44 0.642 4.357 1.486 1.00 0.00 O ATOM 620 CB VAL A 44 -0.147 4.161 4.646 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.702 2.750 4.850 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.077 4.861 5.988 1.00 0.00 C ATOM 0 H VAL A 44 1.144 6.152 3.275 1.00 0.00 H new ATOM 0 HA VAL A 44 1.820 3.444 4.333 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.887 4.735 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.618 2.801 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.917 2.300 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.034 2.142 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.855 4.870 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.840 4.327 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.406 5.886 5.814 1.00 0.00 H new ATOM 632 N LEU A 45 1.090 2.284 2.272 1.00 0.00 N ATOM 633 CA LEU A 45 0.922 1.638 0.981 1.00 0.00 C ATOM 634 C LEU A 45 -0.122 0.526 1.105 1.00 0.00 C ATOM 635 O LEU A 45 0.176 -0.556 1.608 1.00 0.00 O ATOM 636 CB LEU A 45 2.271 1.158 0.442 1.00 0.00 C ATOM 637 CG LEU A 45 2.225 0.346 -0.854 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.647 1.177 -2.001 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.605 -0.221 -1.195 1.00 0.00 C ATOM 0 H LEU A 45 1.332 1.653 3.036 1.00 0.00 H new ATOM 0 HA LEU A 45 0.546 2.349 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.906 2.029 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.752 0.552 1.210 1.00 0.00 H new ATOM 0 HG LEU A 45 1.557 -0.502 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.625 0.577 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.634 1.490 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.269 2.057 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.544 -0.794 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.314 0.598 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.941 -0.871 -0.387 1.00 0.00 H new ATOM 651 N SER A 46 -1.323 0.831 0.637 1.00 0.00 N ATOM 652 CA SER A 46 -2.413 -0.129 0.689 1.00 0.00 C ATOM 653 C SER A 46 -2.495 -0.899 -0.631 1.00 0.00 C ATOM 654 O SER A 46 -2.652 -0.300 -1.694 1.00 0.00 O ATOM 655 CB SER A 46 -3.744 0.564 0.983 1.00 0.00 C ATOM 656 OG SER A 46 -3.621 1.543 2.011 1.00 0.00 O ATOM 0 H SER A 46 -1.566 1.730 0.220 1.00 0.00 H new ATOM 0 HA SER A 46 -2.213 -0.830 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.115 1.038 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.483 -0.181 1.278 1.00 0.00 H new ATOM 0 HG SER A 46 -3.614 1.100 2.885 1.00 0.00 H new ATOM 662 N VAL A 47 -2.385 -2.215 -0.519 1.00 0.00 N ATOM 663 CA VAL A 47 -2.445 -3.072 -1.691 1.00 0.00 C ATOM 664 C VAL A 47 -3.575 -4.089 -1.516 1.00 0.00 C ATOM 665 O VAL A 47 -3.695 -4.714 -0.464 1.00 0.00 O ATOM 666 CB VAL A 47 -1.083 -3.728 -1.930 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.180 -4.820 -2.997 1.00 0.00 C ATOM 668 CG2 VAL A 47 -0.031 -2.684 -2.307 1.00 0.00 C ATOM 0 H VAL A 47 -2.255 -2.708 0.364 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.670 -2.486 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.769 -4.198 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.199 -5.270 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.884 -5.586 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.527 -4.384 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.928 -3.176 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.337 -2.172 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.067 -1.959 -1.499 1.00 0.00 H new ATOM 678 N LEU A 48 -4.376 -4.221 -2.563 1.00 0.00 N ATOM 679 CA LEU A 48 -5.492 -5.151 -2.539 1.00 0.00 C ATOM 680 C LEU A 48 -5.008 -6.534 -2.979 1.00 0.00 C ATOM 681 O LEU A 48 -4.568 -6.710 -4.113 1.00 0.00 O ATOM 682 CB LEU A 48 -6.656 -4.613 -3.373 1.00 0.00 C ATOM 683 CG LEU A 48 -8.028 -5.225 -3.084 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.473 -4.921 -1.652 1.00 0.00 C ATOM 685 CD2 LEU A 48 -9.061 -4.765 -4.115 1.00 0.00 C ATOM 0 H LEU A 48 -4.274 -3.699 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.878 -5.256 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.721 -3.536 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.425 -4.770 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.945 -6.308 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.451 -5.367 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.750 -5.337 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.535 -3.842 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.028 -5.214 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.149 -3.679 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.743 -5.074 -5.111 1.00 0.00 H new ATOM 697 N SER A 49 -5.107 -7.481 -2.057 1.00 0.00 N ATOM 698 CA SER A 49 -4.685 -8.843 -2.335 1.00 0.00 C ATOM 699 C SER A 49 -5.798 -9.597 -3.066 1.00 0.00 C ATOM 700 O SER A 49 -6.956 -9.185 -3.034 1.00 0.00 O ATOM 701 CB SER A 49 -4.304 -9.576 -1.047 1.00 0.00 C ATOM 702 OG SER A 49 -5.341 -10.447 -0.603 1.00 0.00 O ATOM 0 H SER A 49 -5.473 -7.331 -1.117 1.00 0.00 H new ATOM 0 HA SER A 49 -3.802 -8.804 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.393 -10.151 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.083 -8.848 -0.267 1.00 0.00 H new ATOM 0 HG SER A 49 -5.311 -10.521 0.374 1.00 0.00 H new ATOM 708 N ASP A 50 -5.407 -10.689 -3.707 1.00 0.00 N ATOM 709 CA ASP A 50 -6.358 -11.504 -4.445 1.00 0.00 C ATOM 710 C ASP A 50 -6.907 -12.596 -3.525 1.00 0.00 C ATOM 711 O ASP A 50 -7.346 -13.645 -3.995 1.00 0.00 O ATOM 712 CB ASP A 50 -5.688 -12.184 -5.640 1.00 0.00 C ATOM 713 CG ASP A 50 -4.945 -13.481 -5.314 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.423 -13.566 -4.182 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.916 -14.358 -6.204 1.00 0.00 O ATOM 0 H ASP A 50 -4.445 -11.028 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.156 -10.853 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.449 -12.398 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.985 -11.483 -6.090 1.00 0.00 H new ATOM 720 N GLN A 51 -6.864 -12.313 -2.232 1.00 0.00 N ATOM 721 CA GLN A 51 -7.352 -13.259 -1.242 1.00 0.00 C ATOM 722 C GLN A 51 -8.579 -12.691 -0.525 1.00 0.00 C ATOM 723 O GLN A 51 -8.470 -11.725 0.228 1.00 0.00 O ATOM 724 CB GLN A 51 -6.253 -13.623 -0.243 1.00 0.00 C ATOM 725 CG GLN A 51 -5.246 -14.593 -0.865 1.00 0.00 C ATOM 726 CD GLN A 51 -4.794 -15.642 0.154 1.00 0.00 C ATOM 727 OE1 GLN A 51 -4.305 -15.331 1.228 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.984 -16.897 -0.242 1.00 0.00 N ATOM 0 H GLN A 51 -6.499 -11.442 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.647 -14.174 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.739 -12.719 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.698 -14.074 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.696 -15.087 -1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.381 -14.040 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.399 -17.087 -1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.715 -17.670 0.367 1.00 0.00 H new ATOM 737 N PRO A 52 -9.748 -13.332 -0.792 1.00 0.00 N ATOM 738 CA PRO A 52 -10.994 -12.902 -0.180 1.00 0.00 C ATOM 739 C PRO A 52 -11.058 -13.323 1.289 1.00 0.00 C ATOM 740 O PRO A 52 -10.173 -14.024 1.777 1.00 0.00 O ATOM 741 CB PRO A 52 -12.087 -13.533 -1.027 1.00 0.00 C ATOM 742 CG PRO A 52 -11.419 -14.664 -1.794 1.00 0.00 C ATOM 743 CD PRO A 52 -9.915 -14.480 -1.679 1.00 0.00 C ATOM 0 HA PRO A 52 -11.100 -11.817 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.897 -13.910 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.523 -12.803 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.718 -15.630 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.727 -14.650 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.438 -15.370 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.463 -14.296 -2.654 1.00 0.00 H new ATOM 751 N LYS A 53 -12.114 -12.878 1.954 1.00 0.00 N ATOM 752 CA LYS A 53 -12.306 -13.200 3.358 1.00 0.00 C ATOM 753 C LYS A 53 -13.214 -14.425 3.476 1.00 0.00 C ATOM 754 O LYS A 53 -12.940 -15.332 4.261 1.00 0.00 O ATOM 755 CB LYS A 53 -12.818 -11.978 4.122 1.00 0.00 C ATOM 756 CG LYS A 53 -11.843 -10.805 4.000 1.00 0.00 C ATOM 757 CD LYS A 53 -12.318 -9.608 4.827 1.00 0.00 C ATOM 758 CE LYS A 53 -13.748 -9.215 4.451 1.00 0.00 C ATOM 759 NZ LYS A 53 -14.161 -7.998 5.185 1.00 0.00 N ATOM 0 H LYS A 53 -12.846 -12.297 1.546 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.356 -13.462 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.794 -11.686 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.955 -12.233 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.853 -11.114 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.748 -10.514 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.271 -9.853 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.650 -8.762 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.813 -9.039 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.429 -10.034 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.134 -7.745 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.118 -8.179 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.521 -7.214 4.945 1.00 0.00 H new ATOM 773 N ALA A 54 -14.277 -14.413 2.685 1.00 0.00 N ATOM 774 CA ALA A 54 -15.227 -15.512 2.692 1.00 0.00 C ATOM 775 C ALA A 54 -15.180 -16.229 1.341 1.00 0.00 C ATOM 776 O ALA A 54 -15.486 -17.418 1.254 1.00 0.00 O ATOM 777 CB ALA A 54 -16.622 -14.979 3.021 1.00 0.00 C ATOM 0 H ALA A 54 -14.501 -13.659 2.035 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.967 -16.240 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.335 -15.804 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.608 -14.505 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.919 -14.248 2.269 1.00 0.00 H new ATOM 783 N GLY A 55 -14.795 -15.477 0.321 1.00 0.00 N ATOM 784 CA GLY A 55 -14.704 -16.026 -1.021 1.00 0.00 C ATOM 785 C GLY A 55 -15.467 -15.156 -2.022 1.00 0.00 C ATOM 786 O GLY A 55 -15.299 -13.937 -2.046 1.00 0.00 O ATOM 0 H GLY A 55 -14.542 -14.492 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.658 -16.097 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.108 -17.038 -1.032 1.00 0.00 H new ATOM 790 N PRO A 56 -16.311 -15.833 -2.846 1.00 0.00 N ATOM 791 CA PRO A 56 -17.101 -15.135 -3.846 1.00 0.00 C ATOM 792 C PRO A 56 -18.272 -14.392 -3.200 1.00 0.00 C ATOM 793 O PRO A 56 -19.247 -15.011 -2.778 1.00 0.00 O ATOM 794 CB PRO A 56 -17.547 -16.214 -4.819 1.00 0.00 C ATOM 795 CG PRO A 56 -17.384 -17.533 -4.081 1.00 0.00 C ATOM 796 CD PRO A 56 -16.536 -17.276 -2.847 1.00 0.00 C ATOM 0 HA PRO A 56 -16.535 -14.360 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.583 -16.062 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.943 -16.196 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.357 -17.935 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.908 -18.273 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.048 -17.598 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.595 -17.824 -2.892 1.00 0.00 H new ATOM 804 N GLY A 57 -18.136 -13.075 -3.143 1.00 0.00 N ATOM 805 CA GLY A 57 -19.171 -12.241 -2.556 1.00 0.00 C ATOM 806 C GLY A 57 -18.620 -11.429 -1.382 1.00 0.00 C ATOM 807 O GLY A 57 -19.327 -10.602 -0.809 1.00 0.00 O ATOM 0 H GLY A 57 -17.325 -12.565 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.572 -11.567 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -19.997 -12.866 -2.215 1.00 0.00 H new ATOM 811 N SER A 58 -17.363 -11.695 -1.059 1.00 0.00 N ATOM 812 CA SER A 58 -16.709 -10.999 0.037 1.00 0.00 C ATOM 813 C SER A 58 -15.587 -10.109 -0.504 1.00 0.00 C ATOM 814 O SER A 58 -15.027 -10.385 -1.563 1.00 0.00 O ATOM 815 CB SER A 58 -16.153 -11.988 1.064 1.00 0.00 C ATOM 816 OG SER A 58 -15.104 -12.786 0.523 1.00 0.00 O ATOM 0 H SER A 58 -16.780 -12.382 -1.536 1.00 0.00 H new ATOM 0 HA SER A 58 -17.450 -10.376 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.782 -11.441 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.956 -12.635 1.416 1.00 0.00 H new ATOM 0 HG SER A 58 -15.336 -13.055 -0.390 1.00 0.00 H new ATOM 822 N PRO A 59 -15.286 -9.031 0.269 1.00 0.00 N ATOM 823 CA PRO A 59 -14.242 -8.099 -0.122 1.00 0.00 C ATOM 824 C PRO A 59 -12.855 -8.699 0.114 1.00 0.00 C ATOM 825 O PRO A 59 -12.640 -9.406 1.098 1.00 0.00 O ATOM 826 CB PRO A 59 -14.498 -6.851 0.708 1.00 0.00 C ATOM 827 CG PRO A 59 -15.385 -7.292 1.861 1.00 0.00 C ATOM 828 CD PRO A 59 -15.929 -8.672 1.529 1.00 0.00 C ATOM 0 HA PRO A 59 -14.264 -7.865 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.563 -6.427 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.986 -6.079 0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.817 -7.319 2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.201 -6.585 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.691 -9.390 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.014 -8.656 1.429 1.00 0.00 H new ATOM 836 N LEU A 60 -11.949 -8.396 -0.804 1.00 0.00 N ATOM 837 CA LEU A 60 -10.589 -8.897 -0.708 1.00 0.00 C ATOM 838 C LEU A 60 -9.838 -8.117 0.373 1.00 0.00 C ATOM 839 O LEU A 60 -9.831 -6.887 0.365 1.00 0.00 O ATOM 840 CB LEU A 60 -9.907 -8.861 -2.077 1.00 0.00 C ATOM 841 CG LEU A 60 -10.561 -9.702 -3.175 1.00 0.00 C ATOM 842 CD1 LEU A 60 -9.966 -9.375 -4.546 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.468 -11.195 -2.851 1.00 0.00 C ATOM 0 H LEU A 60 -12.131 -7.809 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.589 -9.944 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.869 -7.825 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.877 -9.195 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.620 -9.446 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.449 -9.987 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.128 -8.321 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.896 -9.584 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.940 -11.770 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.421 -11.484 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.977 -11.395 -1.908 1.00 0.00 H new ATOM 855 N ARG A 61 -9.225 -8.865 1.279 1.00 0.00 N ATOM 856 CA ARG A 61 -8.473 -8.260 2.365 1.00 0.00 C ATOM 857 C ARG A 61 -7.607 -7.114 1.837 1.00 0.00 C ATOM 858 O ARG A 61 -7.428 -6.973 0.628 1.00 0.00 O ATOM 859 CB ARG A 61 -7.577 -9.290 3.056 1.00 0.00 C ATOM 860 CG ARG A 61 -8.138 -9.672 4.427 1.00 0.00 C ATOM 861 CD ARG A 61 -7.304 -10.781 5.071 1.00 0.00 C ATOM 862 NE ARG A 61 -6.980 -10.423 6.470 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.882 -10.363 7.458 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.170 -10.635 7.207 1.00 0.00 N ATOM 865 NH2 ARG A 61 -7.498 -10.029 8.698 1.00 0.00 N ATOM 0 H ARG A 61 -9.234 -9.885 1.283 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.190 -7.875 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.492 -10.180 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.572 -8.884 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.149 -8.797 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.171 -10.003 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.854 -11.722 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.386 -10.933 4.504 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.009 -10.209 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.463 -10.888 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.857 -10.589 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.518 -9.820 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.186 -9.984 9.450 1.00 0.00 H new ATOM 879 N VAL A 62 -7.093 -6.325 2.769 1.00 0.00 N ATOM 880 CA VAL A 62 -6.250 -5.196 2.412 1.00 0.00 C ATOM 881 C VAL A 62 -4.945 -5.268 3.208 1.00 0.00 C ATOM 882 O VAL A 62 -4.935 -5.722 4.351 1.00 0.00 O ATOM 883 CB VAL A 62 -7.011 -3.887 2.629 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.130 -2.680 2.300 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.303 -3.862 1.810 1.00 0.00 C ATOM 0 H VAL A 62 -7.244 -6.445 3.771 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.988 -5.233 1.355 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.281 -3.827 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.695 -1.762 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.251 -2.684 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.815 -2.733 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.825 -2.921 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.064 -3.956 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.942 -4.692 2.113 1.00 0.00 H new ATOM 895 N THR A 63 -3.876 -4.813 2.572 1.00 0.00 N ATOM 896 CA THR A 63 -2.569 -4.820 3.206 1.00 0.00 C ATOM 897 C THR A 63 -1.953 -3.420 3.173 1.00 0.00 C ATOM 898 O THR A 63 -1.710 -2.870 2.100 1.00 0.00 O ATOM 899 CB THR A 63 -1.711 -5.878 2.509 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.074 -7.097 3.151 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.221 -5.722 2.821 1.00 0.00 C ATOM 0 H THR A 63 -3.888 -4.437 1.624 1.00 0.00 H new ATOM 0 HA THR A 63 -2.643 -5.084 4.261 1.00 0.00 H new ATOM 0 HB THR A 63 -1.865 -5.818 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.263 -7.780 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.343 -6.497 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.120 -4.741 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.062 -5.816 3.895 1.00 0.00 H new ATOM 909 N HIS A 64 -1.718 -2.884 4.362 1.00 0.00 N ATOM 910 CA HIS A 64 -1.134 -1.559 4.483 1.00 0.00 C ATOM 911 C HIS A 64 0.364 -1.681 4.768 1.00 0.00 C ATOM 912 O HIS A 64 0.761 -2.080 5.861 1.00 0.00 O ATOM 913 CB HIS A 64 -1.873 -0.734 5.539 1.00 0.00 C ATOM 914 CG HIS A 64 -3.348 -0.563 5.264 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.879 0.593 4.719 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.396 -1.412 5.462 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.189 0.436 4.600 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.508 -0.807 5.062 1.00 0.00 N ATOM 0 H HIS A 64 -1.921 -3.343 5.250 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.246 -1.022 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.748 -1.211 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.410 0.250 5.606 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.351 1.425 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.332 -2.408 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.883 1.164 4.206 1.00 0.00 H new ATOM 926 N ILE A 65 1.155 -1.331 3.764 1.00 0.00 N ATOM 927 CA ILE A 65 2.601 -1.397 3.893 1.00 0.00 C ATOM 928 C ILE A 65 3.133 -0.028 4.320 1.00 0.00 C ATOM 929 O ILE A 65 3.364 0.842 3.482 1.00 0.00 O ATOM 930 CB ILE A 65 3.230 -1.925 2.602 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.847 -3.388 2.365 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.746 -1.723 2.609 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.846 -3.513 1.214 1.00 0.00 C ATOM 0 H ILE A 65 0.822 -1.001 2.858 1.00 0.00 H new ATOM 0 HA ILE A 65 2.882 -2.106 4.671 1.00 0.00 H new ATOM 0 HB ILE A 65 2.833 -1.349 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.741 -3.970 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.415 -3.807 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.168 -2.107 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.971 -0.660 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.180 -2.258 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.590 -4.562 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.944 -2.950 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.290 -3.116 0.301 1.00 0.00 H new ATOM 945 N LYS A 66 3.312 0.121 5.625 1.00 0.00 N ATOM 946 CA LYS A 66 3.813 1.369 6.174 1.00 0.00 C ATOM 947 C LYS A 66 5.212 1.641 5.618 1.00 0.00 C ATOM 948 O LYS A 66 6.072 0.761 5.634 1.00 0.00 O ATOM 949 CB LYS A 66 3.753 1.345 7.703 1.00 0.00 C ATOM 950 CG LYS A 66 2.330 1.611 8.199 1.00 0.00 C ATOM 951 CD LYS A 66 1.955 0.649 9.329 1.00 0.00 C ATOM 952 CE LYS A 66 1.344 1.404 10.511 1.00 0.00 C ATOM 953 NZ LYS A 66 1.167 0.499 11.669 1.00 0.00 N ATOM 0 H LYS A 66 3.119 -0.602 6.318 1.00 0.00 H new ATOM 0 HA LYS A 66 3.180 2.201 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.095 0.377 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.430 2.096 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.250 2.640 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.627 1.500 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.246 -0.092 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.841 0.106 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.988 2.238 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.382 1.827 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.751 1.028 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.535 -0.283 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.091 0.116 11.955 1.00 0.00 H new ATOM 967 N VAL A 67 5.398 2.863 5.140 1.00 0.00 N ATOM 968 CA VAL A 67 6.678 3.261 4.580 1.00 0.00 C ATOM 969 C VAL A 67 7.422 4.135 5.592 1.00 0.00 C ATOM 970 O VAL A 67 6.894 5.147 6.051 1.00 0.00 O ATOM 971 CB VAL A 67 6.467 3.954 3.233 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.739 4.675 2.782 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.995 2.958 2.171 1.00 0.00 C ATOM 0 H VAL A 67 4.683 3.591 5.129 1.00 0.00 H new ATOM 0 HA VAL A 67 7.299 2.386 4.386 1.00 0.00 H new ATOM 0 HB VAL A 67 5.685 4.703 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.562 5.159 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.013 5.427 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.550 3.953 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.853 3.477 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.744 2.176 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.052 2.511 2.485 1.00 0.00 H new ATOM 983 N MET A 68 8.637 3.712 5.910 1.00 0.00 N ATOM 984 CA MET A 68 9.459 4.443 6.859 1.00 0.00 C ATOM 985 C MET A 68 10.457 5.350 6.135 1.00 0.00 C ATOM 986 O MET A 68 11.375 4.866 5.475 1.00 0.00 O ATOM 987 CB MET A 68 10.218 3.454 7.746 1.00 0.00 C ATOM 988 CG MET A 68 9.308 2.886 8.836 1.00 0.00 C ATOM 989 SD MET A 68 9.919 1.298 9.376 1.00 0.00 S ATOM 990 CE MET A 68 8.879 0.220 8.404 1.00 0.00 C ATOM 0 H MET A 68 9.072 2.872 5.527 1.00 0.00 H new ATOM 0 HA MET A 68 8.807 5.067 7.471 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.612 2.641 7.136 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.073 3.952 8.204 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.265 3.574 9.680 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.292 2.784 8.456 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.041 -0.814 8.709 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.833 0.485 8.561 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.127 0.330 7.348 1.00 0.00 H new ATOM 1000 N CYS A 69 10.243 6.649 6.285 1.00 0.00 N ATOM 1001 CA CYS A 69 11.113 7.628 5.654 1.00 0.00 C ATOM 1002 C CYS A 69 12.098 8.143 6.704 1.00 0.00 C ATOM 1003 O CYS A 69 11.790 9.075 7.445 1.00 0.00 O ATOM 1004 CB CYS A 69 10.314 8.765 5.015 1.00 0.00 C ATOM 1005 SG CYS A 69 11.449 9.945 4.197 1.00 0.00 S ATOM 0 H CYS A 69 9.481 7.046 6.834 1.00 0.00 H new ATOM 0 HA CYS A 69 11.665 7.157 4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.610 8.361 4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.727 9.280 5.775 1.00 0.00 H new ATOM 0 HG CYS A 69 11.284 9.884 2.909 1.00 0.00 H new ATOM 1011 N GLU A 70 13.264 7.513 6.736 1.00 0.00 N ATOM 1012 CA GLU A 70 14.296 7.896 7.683 1.00 0.00 C ATOM 1013 C GLU A 70 15.622 8.133 6.957 1.00 0.00 C ATOM 1014 O GLU A 70 15.988 7.373 6.062 1.00 0.00 O ATOM 1015 CB GLU A 70 14.453 6.841 8.780 1.00 0.00 C ATOM 1016 CG GLU A 70 14.777 5.471 8.180 1.00 0.00 C ATOM 1017 CD GLU A 70 15.302 4.514 9.252 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.529 4.236 10.193 1.00 0.00 O ATOM 1019 OE2 GLU A 70 16.466 4.081 9.105 1.00 0.00 O ATOM 0 H GLU A 70 13.516 6.740 6.121 1.00 0.00 H new ATOM 0 HA GLU A 70 13.994 8.828 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.247 7.139 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.535 6.779 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.883 5.051 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.521 5.582 7.391 1.00 0.00 H new ATOM 1026 N GLY A 71 16.305 9.191 7.369 1.00 0.00 N ATOM 1027 CA GLY A 71 17.582 9.537 6.768 1.00 0.00 C ATOM 1028 C GLY A 71 17.443 9.729 5.257 1.00 0.00 C ATOM 1029 O GLY A 71 18.352 9.393 4.499 1.00 0.00 O ATOM 0 H GLY A 71 15.998 9.820 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.965 10.452 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.309 8.751 6.973 1.00 0.00 H new ATOM 1033 N GLY A 72 16.299 10.268 4.863 1.00 0.00 N ATOM 1034 CA GLY A 72 16.029 10.508 3.456 1.00 0.00 C ATOM 1035 C GLY A 72 15.952 9.191 2.680 1.00 0.00 C ATOM 1036 O GLY A 72 16.254 9.150 1.488 1.00 0.00 O ATOM 0 H GLY A 72 15.548 10.546 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.091 11.052 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.812 11.138 3.034 1.00 0.00 H new ATOM 1040 N ARG A 73 15.546 8.147 3.388 1.00 0.00 N ATOM 1041 CA ARG A 73 15.425 6.833 2.780 1.00 0.00 C ATOM 1042 C ARG A 73 14.091 6.191 3.165 1.00 0.00 C ATOM 1043 O ARG A 73 13.661 6.285 4.313 1.00 0.00 O ATOM 1044 CB ARG A 73 16.569 5.916 3.219 1.00 0.00 C ATOM 1045 CG ARG A 73 17.868 6.275 2.494 1.00 0.00 C ATOM 1046 CD ARG A 73 19.043 5.460 3.039 1.00 0.00 C ATOM 1047 NE ARG A 73 19.856 4.934 1.920 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.842 5.617 1.322 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.143 6.856 1.732 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.527 5.060 0.314 1.00 0.00 N ATOM 0 H ARG A 73 15.297 8.185 4.376 1.00 0.00 H new ATOM 0 HA ARG A 73 15.472 6.962 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.714 6.000 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.308 4.878 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.756 6.089 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.073 7.339 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.660 6.084 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.673 4.636 3.649 1.00 0.00 H new ATOM 0 HE ARG A 73 19.653 3.993 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.622 7.280 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.893 7.376 1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.298 4.116 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.277 5.580 -0.141 1.00 0.00 H new ATOM 1064 N TYR A 74 13.472 5.554 2.182 1.00 0.00 N ATOM 1065 CA TYR A 74 12.195 4.897 2.402 1.00 0.00 C ATOM 1066 C TYR A 74 12.373 3.383 2.535 1.00 0.00 C ATOM 1067 O TYR A 74 13.170 2.783 1.817 1.00 0.00 O ATOM 1068 CB TYR A 74 11.349 5.192 1.162 1.00 0.00 C ATOM 1069 CG TYR A 74 10.888 6.647 1.055 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.943 7.137 1.934 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.416 7.468 0.080 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.509 8.507 1.834 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.982 8.838 -0.020 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.050 9.289 0.861 1.00 0.00 C ATOM 1075 OH TYR A 74 9.640 10.583 0.766 1.00 0.00 O ATOM 0 H TYR A 74 13.832 5.479 1.230 1.00 0.00 H new ATOM 0 HA TYR A 74 11.731 5.258 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.926 4.938 0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.473 4.544 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.529 6.494 2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.154 7.084 -0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.771 8.904 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.388 9.492 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 74 10.111 11.022 0.027 1.00 0.00 H new ATOM 1085 N THR A 75 11.617 2.809 3.460 1.00 0.00 N ATOM 1086 CA THR A 75 11.681 1.377 3.696 1.00 0.00 C ATOM 1087 C THR A 75 10.374 0.880 4.316 1.00 0.00 C ATOM 1088 O THR A 75 9.752 1.583 5.111 1.00 0.00 O ATOM 1089 CB THR A 75 12.910 1.095 4.562 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.692 -0.224 5.056 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.950 1.963 5.822 1.00 0.00 C ATOM 0 H THR A 75 10.957 3.310 4.055 1.00 0.00 H new ATOM 0 HA THR A 75 11.791 0.827 2.762 1.00 0.00 H new ATOM 0 HB THR A 75 13.813 1.264 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.552 -0.683 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.842 1.723 6.401 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.974 3.015 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.063 1.770 6.425 1.00 0.00 H new ATOM 1099 N VAL A 76 9.995 -0.329 3.929 1.00 0.00 N ATOM 1100 CA VAL A 76 8.772 -0.929 4.437 1.00 0.00 C ATOM 1101 C VAL A 76 9.090 -1.732 5.700 1.00 0.00 C ATOM 1102 O VAL A 76 8.228 -2.435 6.226 1.00 0.00 O ATOM 1103 CB VAL A 76 8.109 -1.771 3.344 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.142 -1.046 1.997 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.765 -3.149 3.241 1.00 0.00 C ATOM 0 H VAL A 76 10.513 -0.910 3.270 1.00 0.00 H new ATOM 0 HA VAL A 76 8.054 -0.157 4.714 1.00 0.00 H new ATOM 0 HB VAL A 76 7.065 -1.916 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.665 -1.666 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.608 -0.099 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.177 -0.856 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.276 -3.727 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.821 -3.032 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.666 -3.671 4.193 1.00 0.00 H new ATOM 1115 N GLY A 77 10.329 -1.600 6.150 1.00 0.00 N ATOM 1116 CA GLY A 77 10.771 -2.305 7.342 1.00 0.00 C ATOM 1117 C GLY A 77 11.880 -3.304 7.008 1.00 0.00 C ATOM 1118 O GLY A 77 12.290 -4.089 7.861 1.00 0.00 O ATOM 0 H GLY A 77 11.041 -1.016 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.132 -1.588 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.928 -2.829 7.793 1.00 0.00 H new ATOM 1122 N GLY A 78 12.334 -3.243 5.764 1.00 0.00 N ATOM 1123 CA GLY A 78 13.387 -4.133 5.307 1.00 0.00 C ATOM 1124 C GLY A 78 14.739 -3.417 5.285 1.00 0.00 C ATOM 1125 O GLY A 78 14.818 -2.223 5.570 1.00 0.00 O ATOM 0 H GLY A 78 11.991 -2.591 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.443 -5.003 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.150 -4.500 4.309 1.00 0.00 H new ATOM 1129 N LEU A 79 15.769 -4.177 4.944 1.00 0.00 N ATOM 1130 CA LEU A 79 17.114 -3.630 4.881 1.00 0.00 C ATOM 1131 C LEU A 79 17.215 -2.672 3.693 1.00 0.00 C ATOM 1132 O LEU A 79 17.817 -1.605 3.800 1.00 0.00 O ATOM 1133 CB LEU A 79 18.150 -4.756 4.854 1.00 0.00 C ATOM 1134 CG LEU A 79 19.149 -4.776 6.013 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.834 -6.140 6.121 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.160 -3.635 5.886 1.00 0.00 C ATOM 0 H LEU A 79 15.700 -5.167 4.708 1.00 0.00 H new ATOM 0 HA LEU A 79 17.332 -3.050 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.621 -5.709 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.708 -4.687 3.920 1.00 0.00 H new ATOM 0 HG LEU A 79 18.600 -4.616 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.539 -6.128 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.083 -6.912 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.368 -6.353 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.858 -3.673 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.709 -3.738 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 79 19.634 -2.680 5.895 1.00 0.00 H new ATOM 1148 N GLU A 80 16.618 -3.088 2.586 1.00 0.00 N ATOM 1149 CA GLU A 80 16.633 -2.281 1.378 1.00 0.00 C ATOM 1150 C GLU A 80 15.948 -0.936 1.630 1.00 0.00 C ATOM 1151 O GLU A 80 15.050 -0.839 2.465 1.00 0.00 O ATOM 1152 CB GLU A 80 15.973 -3.023 0.214 1.00 0.00 C ATOM 1153 CG GLU A 80 16.646 -4.375 -0.027 1.00 0.00 C ATOM 1154 CD GLU A 80 15.621 -5.431 -0.448 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.579 -5.514 0.237 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.903 -6.129 -1.445 1.00 0.00 O ATOM 0 H GLU A 80 16.120 -3.974 2.500 1.00 0.00 H new ATOM 0 HA GLU A 80 17.671 -2.093 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.915 -3.173 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.034 -2.416 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.407 -4.273 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.155 -4.699 0.881 1.00 0.00 H new ATOM 1163 N THR A 81 16.398 0.068 0.892 1.00 0.00 N ATOM 1164 CA THR A 81 15.840 1.403 1.025 1.00 0.00 C ATOM 1165 C THR A 81 15.671 2.050 -0.351 1.00 0.00 C ATOM 1166 O THR A 81 15.949 1.425 -1.373 1.00 0.00 O ATOM 1167 CB THR A 81 16.745 2.202 1.965 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.060 1.757 1.643 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.565 1.803 3.431 1.00 0.00 C ATOM 0 H THR A 81 17.143 -0.016 0.200 1.00 0.00 H new ATOM 0 HA THR A 81 14.841 1.373 1.460 1.00 0.00 H new ATOM 0 HB THR A 81 16.538 3.266 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.711 2.226 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.230 2.400 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.532 1.978 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.805 0.747 3.553 1.00 0.00 H new ATOM 1177 N PHE A 82 15.217 3.295 -0.332 1.00 0.00 N ATOM 1178 CA PHE A 82 15.007 4.033 -1.566 1.00 0.00 C ATOM 1179 C PHE A 82 15.026 5.542 -1.312 1.00 0.00 C ATOM 1180 O PHE A 82 14.899 5.984 -0.171 1.00 0.00 O ATOM 1181 CB PHE A 82 13.629 3.635 -2.097 1.00 0.00 C ATOM 1182 CG PHE A 82 13.381 2.125 -2.115 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.732 1.391 -3.205 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.811 1.517 -1.040 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.502 -0.010 -3.221 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.581 0.116 -1.056 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.932 -0.618 -2.146 1.00 0.00 C ATOM 0 H PHE A 82 14.989 3.811 0.518 1.00 0.00 H new ATOM 0 HA PHE A 82 15.799 3.801 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.864 4.111 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.515 4.024 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.186 1.874 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.533 2.100 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.780 -0.593 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.127 -0.367 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.758 -1.684 -2.158 1.00 0.00 H new ATOM 1197 N ASP A 83 15.185 6.290 -2.394 1.00 0.00 N ATOM 1198 CA ASP A 83 15.221 7.740 -2.302 1.00 0.00 C ATOM 1199 C ASP A 83 13.847 8.305 -2.667 1.00 0.00 C ATOM 1200 O ASP A 83 13.406 9.296 -2.088 1.00 0.00 O ATOM 1201 CB ASP A 83 16.247 8.327 -3.274 1.00 0.00 C ATOM 1202 CG ASP A 83 17.705 8.213 -2.822 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.967 7.342 -1.965 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.524 9.000 -3.344 1.00 0.00 O ATOM 0 H ASP A 83 15.290 5.920 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 83 15.496 8.007 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.141 7.827 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.013 9.380 -3.434 1.00 0.00 H new ATOM 1209 N SER A 84 13.209 7.649 -3.626 1.00 0.00 N ATOM 1210 CA SER A 84 11.894 8.074 -4.075 1.00 0.00 C ATOM 1211 C SER A 84 10.877 6.953 -3.849 1.00 0.00 C ATOM 1212 O SER A 84 11.215 5.774 -3.948 1.00 0.00 O ATOM 1213 CB SER A 84 11.920 8.478 -5.550 1.00 0.00 C ATOM 1214 OG SER A 84 12.768 7.632 -6.321 1.00 0.00 O ATOM 0 H SER A 84 13.578 6.827 -4.104 1.00 0.00 H new ATOM 0 HA SER A 84 11.599 8.947 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.908 8.442 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.261 9.510 -5.637 1.00 0.00 H new ATOM 0 HG SER A 84 12.756 7.922 -7.257 1.00 0.00 H new ATOM 1220 N LEU A 85 9.652 7.360 -3.551 1.00 0.00 N ATOM 1221 CA LEU A 85 8.584 6.405 -3.311 1.00 0.00 C ATOM 1222 C LEU A 85 8.416 5.513 -4.543 1.00 0.00 C ATOM 1223 O LEU A 85 8.152 4.319 -4.417 1.00 0.00 O ATOM 1224 CB LEU A 85 7.301 7.129 -2.897 1.00 0.00 C ATOM 1225 CG LEU A 85 6.954 7.080 -1.408 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.422 5.701 -1.013 1.00 0.00 C ATOM 1227 CD2 LEU A 85 8.151 7.499 -0.552 1.00 0.00 C ATOM 0 H LEU A 85 9.375 8.338 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 85 8.838 5.752 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.384 8.174 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.469 6.702 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 85 6.156 7.798 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.183 5.694 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.523 5.479 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.180 4.946 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.877 7.455 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.986 6.824 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.444 8.517 -0.809 1.00 0.00 H new ATOM 1239 N THR A 86 8.577 6.128 -5.705 1.00 0.00 N ATOM 1240 CA THR A 86 8.447 5.405 -6.959 1.00 0.00 C ATOM 1241 C THR A 86 9.445 4.246 -7.012 1.00 0.00 C ATOM 1242 O THR A 86 9.087 3.131 -7.389 1.00 0.00 O ATOM 1243 CB THR A 86 8.618 6.406 -8.103 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.594 7.371 -7.876 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.268 5.805 -9.465 1.00 0.00 C ATOM 0 H THR A 86 8.796 7.119 -5.805 1.00 0.00 H new ATOM 0 HA THR A 86 7.461 4.949 -7.052 1.00 0.00 H new ATOM 0 HB THR A 86 9.647 6.766 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.732 6.916 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.407 6.558 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.918 4.953 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.229 5.475 -9.461 1.00 0.00 H new ATOM 1253 N ASP A 87 10.676 4.549 -6.629 1.00 0.00 N ATOM 1254 CA ASP A 87 11.728 3.547 -6.628 1.00 0.00 C ATOM 1255 C ASP A 87 11.379 2.449 -5.621 1.00 0.00 C ATOM 1256 O ASP A 87 11.885 1.331 -5.716 1.00 0.00 O ATOM 1257 CB ASP A 87 13.070 4.157 -6.216 1.00 0.00 C ATOM 1258 CG ASP A 87 14.213 3.932 -7.207 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.232 4.655 -8.226 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.043 3.041 -6.923 1.00 0.00 O ATOM 0 H ASP A 87 10.969 5.475 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 87 11.810 3.143 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.937 5.230 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.359 3.743 -5.250 1.00 0.00 H new ATOM 1265 N LEU A 88 10.517 2.805 -4.680 1.00 0.00 N ATOM 1266 CA LEU A 88 10.094 1.863 -3.657 1.00 0.00 C ATOM 1267 C LEU A 88 8.986 0.971 -4.218 1.00 0.00 C ATOM 1268 O LEU A 88 9.039 -0.250 -4.083 1.00 0.00 O ATOM 1269 CB LEU A 88 9.699 2.604 -2.378 1.00 0.00 C ATOM 1270 CG LEU A 88 9.291 1.726 -1.194 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.552 2.440 0.134 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.836 1.272 -1.324 1.00 0.00 C ATOM 0 H LEU A 88 10.100 3.733 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 88 10.919 1.208 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.537 3.229 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.871 3.274 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 88 9.910 0.829 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.253 1.794 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.614 2.671 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.975 3.364 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.571 0.649 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.184 2.145 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.715 0.698 -2.243 1.00 0.00 H new ATOM 1284 N VAL A 89 8.007 1.616 -4.837 1.00 0.00 N ATOM 1285 CA VAL A 89 6.887 0.895 -5.419 1.00 0.00 C ATOM 1286 C VAL A 89 7.377 0.085 -6.621 1.00 0.00 C ATOM 1287 O VAL A 89 6.984 -1.066 -6.800 1.00 0.00 O ATOM 1288 CB VAL A 89 5.764 1.872 -5.774 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.914 1.335 -6.927 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.898 2.179 -4.551 1.00 0.00 C ATOM 0 H VAL A 89 7.966 2.629 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 89 6.471 0.190 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 89 6.223 2.805 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.123 2.048 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.542 1.191 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.470 0.382 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.108 2.876 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.453 1.256 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.515 2.625 -3.771 1.00 0.00 H new ATOM 1300 N GLU A 90 8.228 0.719 -7.414 1.00 0.00 N ATOM 1301 CA GLU A 90 8.776 0.072 -8.594 1.00 0.00 C ATOM 1302 C GLU A 90 9.659 -1.110 -8.189 1.00 0.00 C ATOM 1303 O GLU A 90 10.029 -1.929 -9.029 1.00 0.00 O ATOM 1304 CB GLU A 90 9.554 1.069 -9.455 1.00 0.00 C ATOM 1305 CG GLU A 90 8.617 1.830 -10.395 1.00 0.00 C ATOM 1306 CD GLU A 90 9.029 1.636 -11.855 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.889 2.420 -12.312 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.476 0.707 -12.483 1.00 0.00 O ATOM 0 H GLU A 90 8.552 1.674 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 90 7.949 -0.307 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.083 1.774 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.309 0.541 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.593 1.483 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.631 2.891 -10.147 1.00 0.00 H new ATOM 1315 N HIS A 91 9.972 -1.161 -6.902 1.00 0.00 N ATOM 1316 CA HIS A 91 10.805 -2.229 -6.376 1.00 0.00 C ATOM 1317 C HIS A 91 9.933 -3.439 -6.035 1.00 0.00 C ATOM 1318 O HIS A 91 10.191 -4.546 -6.504 1.00 0.00 O ATOM 1319 CB HIS A 91 11.630 -1.737 -5.185 1.00 0.00 C ATOM 1320 CG HIS A 91 12.185 -2.846 -4.323 1.00 0.00 C ATOM 1321 ND1 HIS A 91 11.663 -3.471 -3.230 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.419 -3.428 -4.554 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.530 -4.387 -2.816 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 13.620 -4.361 -3.635 1.00 0.00 N flip ATOM 0 H HIS A 91 9.664 -0.480 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 91 11.522 -2.544 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.456 -1.130 -5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.008 -1.088 -4.568 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.759 -3.269 -2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.102 -3.166 -5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.394 -5.044 -1.970 1.00 0.00 H new ATOM 1332 N PHE A 92 8.919 -3.186 -5.220 1.00 0.00 N ATOM 1333 CA PHE A 92 8.008 -4.241 -4.810 1.00 0.00 C ATOM 1334 C PHE A 92 6.986 -4.540 -5.909 1.00 0.00 C ATOM 1335 O PHE A 92 6.216 -5.493 -5.802 1.00 0.00 O ATOM 1336 CB PHE A 92 7.271 -3.737 -3.568 1.00 0.00 C ATOM 1337 CG PHE A 92 8.138 -3.686 -2.308 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.388 -4.825 -1.608 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.658 -2.502 -1.888 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.193 -4.777 -0.439 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.462 -2.454 -0.719 1.00 0.00 C ATOM 1342 CZ PHE A 92 9.713 -3.593 -0.019 1.00 0.00 C ATOM 0 H PHE A 92 8.709 -2.266 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 92 8.564 -5.157 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.881 -2.739 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.413 -4.382 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.975 -5.766 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.459 -1.598 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.392 -5.681 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.874 -1.513 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.325 -3.557 0.870 1.00 0.00 H new ATOM 1352 N LYS A 93 7.012 -3.708 -6.940 1.00 0.00 N ATOM 1353 CA LYS A 93 6.098 -3.872 -8.057 1.00 0.00 C ATOM 1354 C LYS A 93 6.398 -5.193 -8.767 1.00 0.00 C ATOM 1355 O LYS A 93 5.605 -5.657 -9.584 1.00 0.00 O ATOM 1356 CB LYS A 93 6.154 -2.651 -8.978 1.00 0.00 C ATOM 1357 CG LYS A 93 4.918 -1.768 -8.793 1.00 0.00 C ATOM 1358 CD LYS A 93 4.891 -0.641 -9.827 1.00 0.00 C ATOM 1359 CE LYS A 93 4.294 -1.124 -11.150 1.00 0.00 C ATOM 1360 NZ LYS A 93 2.905 -0.637 -11.301 1.00 0.00 N ATOM 0 H LYS A 93 7.652 -2.918 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 93 5.069 -3.928 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.053 -2.073 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.221 -2.977 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.017 -2.374 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.916 -1.345 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.306 0.195 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.903 -0.272 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.903 -0.768 -11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.310 -2.213 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.515 -0.974 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.324 -0.997 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.898 0.403 -11.288 1.00 0.00 H new ATOM 1374 N LYS A 94 7.547 -5.761 -8.430 1.00 0.00 N ATOM 1375 CA LYS A 94 7.962 -7.020 -9.026 1.00 0.00 C ATOM 1376 C LYS A 94 8.086 -8.081 -7.930 1.00 0.00 C ATOM 1377 O LYS A 94 7.351 -9.067 -7.931 1.00 0.00 O ATOM 1378 CB LYS A 94 9.240 -6.829 -9.845 1.00 0.00 C ATOM 1379 CG LYS A 94 9.930 -5.511 -9.486 1.00 0.00 C ATOM 1380 CD LYS A 94 11.139 -5.262 -10.389 1.00 0.00 C ATOM 1381 CE LYS A 94 12.422 -5.137 -9.565 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.601 -5.031 -10.454 1.00 0.00 N ATOM 0 H LYS A 94 8.203 -5.373 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 94 7.210 -7.375 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.920 -7.661 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.000 -6.840 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.223 -4.688 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.249 -5.535 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.239 -6.080 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.984 -4.351 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.364 -4.259 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.528 -6.004 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.463 -4.947 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.664 -5.881 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.505 -4.190 -11.059 1.00 0.00 H new ATOM 1396 N THR A 95 9.022 -7.843 -7.023 1.00 0.00 N ATOM 1397 CA THR A 95 9.252 -8.765 -5.924 1.00 0.00 C ATOM 1398 C THR A 95 7.940 -9.066 -5.197 1.00 0.00 C ATOM 1399 O THR A 95 7.489 -10.210 -5.168 1.00 0.00 O ATOM 1400 CB THR A 95 10.326 -8.162 -5.017 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.713 -6.991 -4.485 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.526 -7.631 -5.803 1.00 0.00 C ATOM 0 H THR A 95 9.630 -7.024 -7.027 1.00 0.00 H new ATOM 0 HA THR A 95 9.615 -9.727 -6.285 1.00 0.00 H new ATOM 0 HB THR A 95 10.664 -8.915 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.301 -6.220 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.258 -7.214 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.981 -8.446 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.195 -6.854 -6.492 1.00 0.00 H new ATOM 1410 N GLY A 96 7.363 -8.018 -4.627 1.00 0.00 N ATOM 1411 CA GLY A 96 6.112 -8.154 -3.901 1.00 0.00 C ATOM 1412 C GLY A 96 6.323 -7.948 -2.400 1.00 0.00 C ATOM 1413 O GLY A 96 7.459 -7.908 -1.929 1.00 0.00 O ATOM 0 H GLY A 96 7.739 -7.070 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.391 -7.427 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.689 -9.143 -4.080 1.00 0.00 H new ATOM 1417 N ILE A 97 5.212 -7.821 -1.690 1.00 0.00 N ATOM 1418 CA ILE A 97 5.261 -7.619 -0.252 1.00 0.00 C ATOM 1419 C ILE A 97 4.753 -8.878 0.453 1.00 0.00 C ATOM 1420 O ILE A 97 3.753 -9.464 0.042 1.00 0.00 O ATOM 1421 CB ILE A 97 4.502 -6.348 0.137 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.171 -5.107 -0.456 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.347 -6.246 1.656 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.132 -4.157 -1.055 1.00 0.00 C ATOM 0 H ILE A 97 4.272 -7.854 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 97 6.289 -7.462 0.076 1.00 0.00 H new ATOM 0 HB ILE A 97 3.499 -6.405 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.738 -4.590 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.882 -5.406 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.804 -5.334 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.794 -7.110 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.332 -6.221 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.634 -3.283 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.583 -4.669 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.437 -3.841 -0.277 1.00 0.00 H new ATOM 1436 N GLU A 98 5.467 -9.258 1.503 1.00 0.00 N ATOM 1437 CA GLU A 98 5.101 -10.437 2.270 1.00 0.00 C ATOM 1438 C GLU A 98 4.071 -10.075 3.341 1.00 0.00 C ATOM 1439 O GLU A 98 4.214 -9.066 4.029 1.00 0.00 O ATOM 1440 CB GLU A 98 6.336 -11.089 2.894 1.00 0.00 C ATOM 1441 CG GLU A 98 5.945 -12.297 3.749 1.00 0.00 C ATOM 1442 CD GLU A 98 6.994 -12.566 4.830 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.090 -11.724 5.749 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.675 -13.607 4.713 1.00 0.00 O ATOM 0 H GLU A 98 6.297 -8.770 1.840 1.00 0.00 H new ATOM 0 HA GLU A 98 4.651 -11.163 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.023 -11.402 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.865 -10.360 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.975 -12.119 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.838 -13.177 3.114 1.00 0.00 H new ATOM 1451 N GLU A 99 3.055 -10.920 3.449 1.00 0.00 N ATOM 1452 CA GLU A 99 2.001 -10.702 4.425 1.00 0.00 C ATOM 1453 C GLU A 99 2.298 -11.480 5.709 1.00 0.00 C ATOM 1454 O GLU A 99 3.347 -12.111 5.829 1.00 0.00 O ATOM 1455 CB GLU A 99 0.636 -11.087 3.853 1.00 0.00 C ATOM 1456 CG GLU A 99 -0.026 -9.893 3.162 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.542 -9.909 3.372 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.963 -10.433 4.425 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -2.244 -9.397 2.473 1.00 0.00 O ATOM 0 H GLU A 99 2.940 -11.756 2.877 1.00 0.00 H new ATOM 0 HA GLU A 99 1.970 -9.640 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.753 -11.904 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.008 -11.451 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.389 -8.965 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.197 -9.916 2.095 1.00 0.00 H new ATOM 1466 N ALA A 100 1.354 -11.410 6.636 1.00 0.00 N ATOM 1467 CA ALA A 100 1.501 -12.100 7.907 1.00 0.00 C ATOM 1468 C ALA A 100 1.096 -13.565 7.736 1.00 0.00 C ATOM 1469 O ALA A 100 1.249 -14.367 8.656 1.00 0.00 O ATOM 1470 CB ALA A 100 0.669 -11.386 8.975 1.00 0.00 C ATOM 0 H ALA A 100 0.485 -10.886 6.533 1.00 0.00 H new ATOM 0 HA ALA A 100 2.540 -12.081 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.779 -11.903 9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.015 -10.358 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.380 -11.388 8.680 1.00 0.00 H new ATOM 1476 N SER A 101 0.588 -13.871 6.551 1.00 0.00 N ATOM 1477 CA SER A 101 0.160 -15.226 6.247 1.00 0.00 C ATOM 1478 C SER A 101 1.251 -15.955 5.460 1.00 0.00 C ATOM 1479 O SER A 101 1.002 -17.012 4.881 1.00 0.00 O ATOM 1480 CB SER A 101 -1.152 -15.227 5.461 1.00 0.00 C ATOM 1481 OG SER A 101 -2.203 -15.870 6.177 1.00 0.00 O ATOM 0 H SER A 101 0.463 -13.204 5.790 1.00 0.00 H new ATOM 0 HA SER A 101 -0.012 -15.749 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.441 -14.200 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.002 -15.731 4.506 1.00 0.00 H new ATOM 0 HG SER A 101 -3.024 -15.848 5.642 1.00 0.00 H new ATOM 1487 N GLY A 102 2.436 -15.362 5.464 1.00 0.00 N ATOM 1488 CA GLY A 102 3.565 -15.942 4.757 1.00 0.00 C ATOM 1489 C GLY A 102 3.333 -15.925 3.245 1.00 0.00 C ATOM 1490 O GLY A 102 3.960 -16.685 2.509 1.00 0.00 O ATOM 0 H GLY A 102 2.639 -14.486 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.472 -15.387 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.721 -16.967 5.093 1.00 0.00 H new ATOM 1494 N ALA A 103 2.429 -15.051 2.827 1.00 0.00 N ATOM 1495 CA ALA A 103 2.107 -14.925 1.416 1.00 0.00 C ATOM 1496 C ALA A 103 2.619 -13.580 0.898 1.00 0.00 C ATOM 1497 O ALA A 103 2.664 -12.600 1.641 1.00 0.00 O ATOM 1498 CB ALA A 103 0.598 -15.088 1.221 1.00 0.00 C ATOM 0 H ALA A 103 1.910 -14.423 3.441 1.00 0.00 H new ATOM 0 HA ALA A 103 2.598 -15.709 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.356 -14.994 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.289 -16.071 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.073 -14.316 1.784 1.00 0.00 H new ATOM 1504 N PHE A 104 2.993 -13.575 -0.373 1.00 0.00 N ATOM 1505 CA PHE A 104 3.501 -12.366 -0.999 1.00 0.00 C ATOM 1506 C PHE A 104 2.392 -11.634 -1.757 1.00 0.00 C ATOM 1507 O PHE A 104 1.374 -12.231 -2.104 1.00 0.00 O ATOM 1508 CB PHE A 104 4.583 -12.797 -1.992 1.00 0.00 C ATOM 1509 CG PHE A 104 6.009 -12.675 -1.450 1.00 0.00 C ATOM 1510 CD1 PHE A 104 6.470 -13.575 -0.542 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.814 -11.666 -1.878 1.00 0.00 C ATOM 1512 CE1 PHE A 104 7.794 -13.462 -0.039 1.00 0.00 C ATOM 1513 CE2 PHE A 104 8.138 -11.553 -1.376 1.00 0.00 C ATOM 1514 CZ PHE A 104 8.599 -12.453 -0.467 1.00 0.00 C ATOM 0 H PHE A 104 2.954 -14.389 -0.986 1.00 0.00 H new ATOM 0 HA PHE A 104 3.892 -11.690 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.403 -13.832 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.495 -12.192 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.830 -14.376 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.447 -10.951 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 104 8.161 -14.177 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.778 -10.753 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.605 -12.366 -0.085 1.00 0.00 H new ATOM 1524 N VAL A 105 2.628 -10.352 -1.993 1.00 0.00 N ATOM 1525 CA VAL A 105 1.661 -9.532 -2.704 1.00 0.00 C ATOM 1526 C VAL A 105 2.355 -8.833 -3.875 1.00 0.00 C ATOM 1527 O VAL A 105 3.540 -8.511 -3.796 1.00 0.00 O ATOM 1528 CB VAL A 105 0.992 -8.554 -1.736 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.041 -7.612 -2.478 1.00 0.00 C ATOM 1530 CG2 VAL A 105 0.261 -9.303 -0.619 1.00 0.00 C ATOM 0 H VAL A 105 3.474 -9.861 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 105 0.867 -10.152 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 105 1.774 -7.948 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.421 -6.927 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.599 -7.042 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.734 -8.195 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.206 -8.585 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.506 -9.945 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.973 -9.913 -0.063 1.00 0.00 H new ATOM 1540 N TYR A 106 1.588 -8.618 -4.933 1.00 0.00 N ATOM 1541 CA TYR A 106 2.114 -7.963 -6.118 1.00 0.00 C ATOM 1542 C TYR A 106 1.288 -6.725 -6.473 1.00 0.00 C ATOM 1543 O TYR A 106 0.068 -6.722 -6.316 1.00 0.00 O ATOM 1544 CB TYR A 106 1.994 -8.983 -7.252 1.00 0.00 C ATOM 1545 CG TYR A 106 2.118 -10.438 -6.796 1.00 0.00 C ATOM 1546 CD1 TYR A 106 3.134 -10.807 -5.937 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.215 -11.381 -7.243 1.00 0.00 C ATOM 1548 CE1 TYR A 106 3.251 -12.177 -5.507 1.00 0.00 C ATOM 1549 CE2 TYR A 106 1.332 -12.750 -6.813 1.00 0.00 C ATOM 1550 CZ TYR A 106 2.344 -13.081 -5.967 1.00 0.00 C ATOM 1551 OH TYR A 106 2.454 -14.374 -5.561 1.00 0.00 O ATOM 0 H TYR A 106 0.606 -8.886 -4.994 1.00 0.00 H new ATOM 0 HA TYR A 106 3.142 -7.640 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.032 -8.849 -7.747 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.766 -8.779 -7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.841 -10.069 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.421 -11.092 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.040 -12.480 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.632 -13.498 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 106 1.739 -14.906 -5.967 1.00 0.00 H new ATOM 1561 N LEU A 107 1.986 -5.702 -6.945 1.00 0.00 N ATOM 1562 CA LEU A 107 1.332 -4.461 -7.323 1.00 0.00 C ATOM 1563 C LEU A 107 1.126 -4.440 -8.839 1.00 0.00 C ATOM 1564 O LEU A 107 1.921 -3.851 -9.569 1.00 0.00 O ATOM 1565 CB LEU A 107 2.116 -3.259 -6.793 1.00 0.00 C ATOM 1566 CG LEU A 107 2.422 -3.267 -5.294 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.467 -4.332 -4.953 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.843 -1.877 -4.813 1.00 0.00 C ATOM 0 H LEU A 107 2.998 -5.708 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 107 0.345 -4.396 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.059 -3.197 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.555 -2.354 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 107 1.508 -3.530 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.666 -4.316 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.091 -5.315 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.389 -4.124 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.055 -1.910 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.737 -1.561 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.037 -1.167 -5.001 1.00 0.00 H new ATOM 1580 N ARG A 108 0.053 -5.089 -9.267 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.269 -5.152 -10.683 1.00 0.00 C ATOM 1582 C ARG A 108 -0.503 -3.745 -11.237 1.00 0.00 C ATOM 1583 O ARG A 108 0.232 -3.287 -12.110 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.516 -6.003 -10.927 1.00 0.00 C ATOM 1585 CG ARG A 108 -1.185 -7.495 -10.851 1.00 0.00 C ATOM 1586 CD ARG A 108 -2.294 -8.336 -11.486 1.00 0.00 C ATOM 1587 NE ARG A 108 -2.133 -8.358 -12.957 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.737 -7.502 -13.792 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.547 -6.551 -13.307 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -2.532 -7.598 -15.113 1.00 0.00 N ATOM 0 H ARG A 108 -0.605 -5.576 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 108 0.576 -5.612 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.278 -5.758 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.935 -5.769 -11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -0.241 -7.688 -11.360 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.052 -7.789 -9.810 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.261 -9.352 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.269 -7.924 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.524 -9.070 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.704 -6.479 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.007 -5.899 -13.943 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.916 -8.323 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.992 -6.946 -15.749 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.531 -3.098 -10.706 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.872 -1.753 -11.137 1.00 0.00 C ATOM 1606 C GLN A 109 -2.208 -0.878 -9.928 1.00 0.00 C ATOM 1607 O GLN A 109 -2.749 -1.365 -8.936 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.029 -1.774 -12.138 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.374 -1.894 -11.418 1.00 0.00 C ATOM 1610 CD GLN A 109 -5.263 -2.943 -12.090 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.974 -2.672 -13.044 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -5.183 -4.151 -11.541 1.00 0.00 N ATOM 0 H GLN A 109 -2.138 -3.481 -9.981 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.007 -1.324 -11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.013 -0.864 -12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.905 -2.610 -12.826 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.210 -2.165 -10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.879 -0.928 -11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.567 -4.309 -10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.737 -4.920 -11.917 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.865 0.432 -10.053 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.126 1.380 -8.983 1.00 0.00 C ATOM 1623 C PRO A 110 -3.612 1.739 -8.918 1.00 0.00 C ATOM 1624 O PRO A 110 -4.382 1.369 -9.802 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.239 2.575 -9.291 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.867 2.450 -10.759 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.223 1.044 -11.213 1.00 0.00 C ATOM 0 HA PRO A 110 -1.897 0.975 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.764 3.511 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.349 2.574 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.403 3.190 -11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.197 2.639 -10.900 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.893 1.063 -12.072 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.335 0.488 -11.513 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.969 2.455 -7.862 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.348 2.868 -7.670 1.00 0.00 C ATOM 1637 C TYR A 111 -5.552 4.320 -8.107 1.00 0.00 C ATOM 1638 O TYR A 111 -4.764 5.195 -7.752 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.616 2.759 -6.167 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.079 2.984 -5.778 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.076 2.250 -6.387 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.400 3.921 -4.817 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.452 2.462 -6.021 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.777 4.133 -4.451 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.735 3.393 -5.071 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.035 3.593 -4.724 1.00 0.00 O ATOM 0 H TYR A 111 -3.327 2.760 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.020 2.246 -8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.307 1.772 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.996 3.487 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.824 1.516 -7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.619 4.495 -4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.242 1.894 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.043 4.863 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.499 2.731 -4.685 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.613 4.531 -8.872 1.00 0.00 N ATOM 1657 CA TYR A 112 -6.930 5.862 -9.362 1.00 0.00 C ATOM 1658 C TYR A 112 -8.316 6.305 -8.888 1.00 0.00 C ATOM 1659 O TYR A 112 -9.329 5.769 -9.334 1.00 0.00 O ATOM 1660 CB TYR A 112 -6.935 5.759 -10.888 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.541 5.658 -11.510 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.765 6.790 -11.652 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.059 4.434 -11.928 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.452 6.695 -12.237 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -3.746 4.339 -12.513 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.008 5.474 -12.638 1.00 0.00 C ATOM 1667 OH TYR A 112 -1.768 5.384 -13.191 1.00 0.00 O ATOM 0 H TYR A 112 -7.264 3.803 -9.165 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.206 6.589 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.516 4.885 -11.181 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.443 6.632 -11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.142 7.748 -11.324 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.666 3.548 -11.817 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.835 7.573 -12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.357 3.388 -12.845 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.583 4.452 -13.429 1.00 0.00 H new ATOM 1677 N SER A 113 -8.315 7.279 -7.990 1.00 0.00 N ATOM 1678 CA SER A 113 -9.560 7.800 -7.450 1.00 0.00 C ATOM 1679 C SER A 113 -10.085 8.927 -8.341 1.00 0.00 C ATOM 1680 O SER A 113 -11.209 8.859 -8.836 1.00 0.00 O ATOM 1681 CB SER A 113 -9.372 8.300 -6.017 1.00 0.00 C ATOM 1682 OG SER A 113 -8.374 9.314 -5.931 1.00 0.00 O ATOM 0 H SER A 113 -7.472 7.721 -7.623 1.00 0.00 H new ATOM 0 HA SER A 113 -10.290 6.991 -7.431 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.318 8.690 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.095 7.464 -5.375 1.00 0.00 H new ATOM 0 HG SER A 113 -8.395 9.719 -5.039 1.00 0.00 H new ATOM 1688 N GLY A 114 -9.246 9.937 -8.519 1.00 0.00 N ATOM 1689 CA GLY A 114 -9.612 11.078 -9.342 1.00 0.00 C ATOM 1690 C GLY A 114 -8.713 12.279 -9.044 1.00 0.00 C ATOM 1691 O GLY A 114 -7.723 12.156 -8.326 1.00 0.00 O ATOM 0 H GLY A 114 -8.314 9.989 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.532 10.812 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.653 11.344 -9.159 1.00 0.00 H new ATOM 1695 N PRO A 115 -9.101 13.445 -9.628 1.00 0.00 N ATOM 1696 CA PRO A 115 -8.341 14.668 -9.432 1.00 0.00 C ATOM 1697 C PRO A 115 -8.582 15.246 -8.036 1.00 0.00 C ATOM 1698 O PRO A 115 -9.727 15.418 -7.621 1.00 0.00 O ATOM 1699 CB PRO A 115 -8.797 15.597 -10.546 1.00 0.00 C ATOM 1700 CG PRO A 115 -10.121 15.037 -11.040 1.00 0.00 C ATOM 1701 CD PRO A 115 -10.268 13.629 -10.485 1.00 0.00 C ATOM 0 HA PRO A 115 -7.264 14.506 -9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -8.917 16.617 -10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -8.063 15.631 -11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.948 15.666 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.147 15.022 -12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.194 13.520 -9.921 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.293 12.889 -11.285 1.00 0.00 H new ATOM 1709 N SER A 116 -7.484 15.530 -7.351 1.00 0.00 N ATOM 1710 CA SER A 116 -7.562 16.085 -6.010 1.00 0.00 C ATOM 1711 C SER A 116 -6.756 17.384 -5.934 1.00 0.00 C ATOM 1712 O SER A 116 -5.547 17.383 -6.164 1.00 0.00 O ATOM 1713 CB SER A 116 -7.055 15.085 -4.970 1.00 0.00 C ATOM 1714 OG SER A 116 -6.698 15.722 -3.746 1.00 0.00 O ATOM 0 H SER A 116 -6.536 15.386 -7.699 1.00 0.00 H new ATOM 0 HA SER A 116 -8.608 16.300 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.826 14.339 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.190 14.555 -5.368 1.00 0.00 H new ATOM 0 HG SER A 116 -6.381 15.050 -3.108 1.00 0.00 H new ATOM 1720 N SER A 117 -7.458 18.460 -5.610 1.00 0.00 N ATOM 1721 CA SER A 117 -6.823 19.762 -5.501 1.00 0.00 C ATOM 1722 C SER A 117 -7.571 20.626 -4.484 1.00 0.00 C ATOM 1723 O SER A 117 -8.780 20.822 -4.601 1.00 0.00 O ATOM 1724 CB SER A 117 -6.771 20.466 -6.859 1.00 0.00 C ATOM 1725 OG SER A 117 -5.689 20.000 -7.661 1.00 0.00 O ATOM 0 H SER A 117 -8.460 18.457 -5.420 1.00 0.00 H new ATOM 0 HA SER A 117 -5.799 19.614 -5.159 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.710 20.304 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.673 21.541 -6.707 1.00 0.00 H new ATOM 0 HG SER A 117 -5.393 19.125 -7.334 1.00 0.00 H new ATOM 1731 N GLY A 118 -6.822 21.119 -3.509 1.00 0.00 N ATOM 1732 CA GLY A 118 -7.400 21.957 -2.472 1.00 0.00 C ATOM 1733 C GLY A 118 -7.461 23.419 -2.919 1.00 0.00 C ATOM 1734 O GLY A 118 -6.447 23.995 -3.311 1.00 0.00 O ATOM 0 H GLY A 118 -5.820 20.954 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.403 21.604 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.807 21.876 -1.561 1.00 0.00 H new TER 1738 GLY A 118