USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 738 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0314 (180deg=-0.0619) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.018 USER MOD Single : A 5 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.27) USER MOD Single : A 6 HIS : no HD1:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.0081) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00772 K(o=-0.0077,f=-1.1) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0329 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 29 THR OG1 : rot 58:sc= 1.11 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 36 SER OG : rot 89:sc= 0.0942 USER MOD Single : A 49 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.5!) USER MOD Single : A 54 GLN : amide:sc= 0.51 K(o=0.51,f=-0.0084) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl 167:sc= -0.0426 (180deg=-0.288) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.914 K(o=0.91,f=-3.6!) USER MOD Single : A 85 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.213 31.743 35.060 1.00 0.00 N ATOM 2 CA MET A 1 6.103 30.835 35.821 1.00 52.33 C ATOM 3 C MET A 1 6.929 29.987 34.868 1.00 22.33 C ATOM 4 O MET A 1 6.516 29.730 33.735 1.00 21.04 O ATOM 5 CB MET A 1 5.284 29.923 36.746 1.00 22.32 C ATOM 6 CG MET A 1 4.492 30.675 37.803 1.00 12.10 C ATOM 7 SD MET A 1 5.539 31.699 38.852 1.00 35.23 S ATOM 8 CE MET A 1 4.313 32.412 39.952 1.00 22.31 C ATOM 0 H1 MET A 1 5.353 32.721 35.386 1.00 0.00 H new ATOM 0 H2 MET A 1 5.438 31.680 34.047 1.00 0.00 H new ATOM 0 H3 MET A 1 4.222 31.466 35.212 1.00 0.00 H new ATOM 0 HA MET A 1 6.771 31.445 36.430 1.00 52.33 H new ATOM 0 HB2 MET A 1 4.596 29.332 36.142 1.00 22.32 H new ATOM 0 HB3 MET A 1 5.958 29.222 37.240 1.00 22.32 H new ATOM 0 HG2 MET A 1 3.747 31.303 37.315 1.00 12.10 H new ATOM 0 HG3 MET A 1 3.950 29.961 38.423 1.00 12.10 H new ATOM 0 HE1 MET A 1 4.805 33.074 40.665 1.00 22.31 H new ATOM 0 HE2 MET A 1 3.588 32.981 39.369 1.00 22.31 H new ATOM 0 HE3 MET A 1 3.800 31.615 40.491 1.00 22.31 H new ATOM 20 N GLY A 2 8.097 29.557 35.326 1.00 71.05 N ATOM 21 CA GLY A 2 8.956 28.729 34.508 1.00 35.51 C ATOM 22 C GLY A 2 10.294 29.384 34.242 1.00 60.41 C ATOM 23 O GLY A 2 10.372 30.401 33.550 1.00 10.31 O ATOM 0 H GLY A 2 8.465 29.769 36.254 1.00 71.05 H new ATOM 0 HA2 GLY A 2 9.114 27.771 35.004 1.00 35.51 H new ATOM 0 HA3 GLY A 2 8.461 28.519 33.560 1.00 35.51 H new ATOM 27 N SER A 3 11.351 28.810 34.789 1.00 31.13 N ATOM 28 CA SER A 3 12.685 29.342 34.590 1.00 72.13 C ATOM 29 C SER A 3 13.622 28.235 34.127 1.00 50.31 C ATOM 30 O SER A 3 14.131 27.455 34.935 1.00 53.44 O ATOM 31 CB SER A 3 13.192 29.982 35.883 1.00 15.10 C ATOM 32 OG SER A 3 14.412 30.674 35.681 1.00 24.10 O ATOM 0 H SER A 3 11.310 27.976 35.374 1.00 31.13 H new ATOM 0 HA SER A 3 12.654 30.111 33.818 1.00 72.13 H new ATOM 0 HB2 SER A 3 12.441 30.673 36.266 1.00 15.10 H new ATOM 0 HB3 SER A 3 13.332 29.211 36.640 1.00 15.10 H new ATOM 0 HG SER A 3 14.706 31.072 36.527 1.00 24.10 H new ATOM 38 N SER A 4 13.798 28.143 32.817 1.00 71.41 N ATOM 39 CA SER A 4 14.671 27.147 32.218 1.00 32.44 C ATOM 40 C SER A 4 15.295 27.710 30.946 1.00 41.10 C ATOM 41 O SER A 4 14.678 28.520 30.257 1.00 24.32 O ATOM 42 CB SER A 4 13.876 25.878 31.893 1.00 61.50 C ATOM 43 OG SER A 4 13.180 25.407 33.035 1.00 73.40 O ATOM 0 H SER A 4 13.340 28.755 32.142 1.00 71.41 H new ATOM 0 HA SER A 4 15.462 26.895 32.924 1.00 32.44 H new ATOM 0 HB2 SER A 4 13.168 26.084 31.091 1.00 61.50 H new ATOM 0 HB3 SER A 4 14.552 25.104 31.530 1.00 61.50 H new ATOM 0 HG SER A 4 12.679 24.598 32.802 1.00 73.40 H new ATOM 49 N HIS A 5 16.514 27.294 30.640 1.00 73.41 N ATOM 50 CA HIS A 5 17.183 27.746 29.428 1.00 32.42 C ATOM 51 C HIS A 5 17.894 26.582 28.737 1.00 54.50 C ATOM 52 O HIS A 5 18.920 26.093 29.204 1.00 33.42 O ATOM 53 CB HIS A 5 18.165 28.903 29.722 1.00 72.34 C ATOM 54 CG HIS A 5 19.240 28.586 30.722 1.00 31.14 C ATOM 55 ND1 HIS A 5 20.548 28.327 30.371 1.00 61.13 N ATOM 56 CD2 HIS A 5 19.193 28.502 32.070 1.00 1.41 C ATOM 57 CE1 HIS A 5 21.253 28.093 31.460 1.00 12.10 C ATOM 58 NE2 HIS A 5 20.455 28.193 32.506 1.00 61.31 N ATOM 0 H HIS A 5 17.059 26.647 31.210 1.00 73.41 H new ATOM 0 HA HIS A 5 16.421 28.130 28.750 1.00 32.42 H new ATOM 0 HB2 HIS A 5 18.637 29.205 28.787 1.00 72.34 H new ATOM 0 HB3 HIS A 5 17.596 29.760 30.083 1.00 72.34 H new ATOM 0 HD2 HIS A 5 18.321 28.651 32.690 1.00 1.41 H new ATOM 0 HE1 HIS A 5 22.307 27.859 31.491 1.00 12.10 H new ATOM 0 HE2 HIS A 5 20.732 28.062 33.479 1.00 61.31 H new ATOM 67 N HIS A 6 17.315 26.124 27.641 1.00 72.01 N ATOM 68 CA HIS A 6 17.904 25.048 26.854 1.00 64.32 C ATOM 69 C HIS A 6 18.572 25.621 25.613 1.00 13.33 C ATOM 70 O HIS A 6 17.918 26.255 24.782 1.00 13.11 O ATOM 71 CB HIS A 6 16.830 24.023 26.463 1.00 32.33 C ATOM 72 CG HIS A 6 17.354 22.841 25.696 1.00 51.51 C ATOM 73 ND1 HIS A 6 17.688 21.647 26.294 1.00 65.15 N ATOM 74 CD2 HIS A 6 17.585 22.670 24.370 1.00 74.52 C ATOM 75 CE1 HIS A 6 18.104 20.795 25.373 1.00 34.41 C ATOM 76 NE2 HIS A 6 18.050 21.391 24.198 1.00 21.31 N ATOM 0 H HIS A 6 16.433 26.481 27.272 1.00 72.01 H new ATOM 0 HA HIS A 6 18.658 24.541 27.456 1.00 64.32 H new ATOM 0 HB2 HIS A 6 16.339 23.665 27.368 1.00 32.33 H new ATOM 0 HB3 HIS A 6 16.069 24.522 25.863 1.00 32.33 H new ATOM 0 HD2 HIS A 6 17.431 23.405 23.594 1.00 74.52 H new ATOM 0 HE1 HIS A 6 18.433 19.782 25.553 1.00 34.41 H new ATOM 0 HE2 HIS A 6 18.311 20.970 23.307 1.00 21.31 H new ATOM 85 N HIS A 7 19.876 25.402 25.495 1.00 42.40 N ATOM 86 CA HIS A 7 20.644 25.917 24.369 1.00 70.40 C ATOM 87 C HIS A 7 20.296 25.144 23.101 1.00 1.13 C ATOM 88 O HIS A 7 20.924 24.136 22.784 1.00 43.31 O ATOM 89 CB HIS A 7 22.142 25.819 24.667 1.00 54.41 C ATOM 90 CG HIS A 7 23.000 26.673 23.789 1.00 24.02 C ATOM 91 ND1 HIS A 7 23.351 27.959 24.121 1.00 42.51 N ATOM 92 CD2 HIS A 7 23.600 26.415 22.605 1.00 42.33 C ATOM 93 CE1 HIS A 7 24.129 28.458 23.183 1.00 65.00 C ATOM 94 NE2 HIS A 7 24.301 27.541 22.248 1.00 21.15 N ATOM 0 H HIS A 7 20.425 24.869 26.169 1.00 42.40 H new ATOM 0 HA HIS A 7 20.390 26.966 24.214 1.00 70.40 H new ATOM 0 HB2 HIS A 7 22.313 26.099 25.706 1.00 54.41 H new ATOM 0 HB3 HIS A 7 22.455 24.780 24.561 1.00 54.41 H new ATOM 0 HD2 HIS A 7 23.539 25.494 22.044 1.00 42.33 H new ATOM 0 HE1 HIS A 7 24.555 29.450 23.179 1.00 65.00 H new ATOM 0 HE2 HIS A 7 24.861 27.651 21.402 1.00 21.15 H new ATOM 103 N HIS A 8 19.266 25.602 22.404 1.00 41.51 N ATOM 104 CA HIS A 8 18.817 24.940 21.183 1.00 1.11 C ATOM 105 C HIS A 8 19.755 25.250 20.021 1.00 73.32 C ATOM 106 O HIS A 8 20.375 26.314 19.983 1.00 11.11 O ATOM 107 CB HIS A 8 17.374 25.351 20.828 1.00 42.41 C ATOM 108 CG HIS A 8 17.180 26.820 20.558 1.00 45.03 C ATOM 109 ND1 HIS A 8 16.470 27.649 21.399 1.00 51.34 N ATOM 110 CD2 HIS A 8 17.590 27.600 19.527 1.00 52.31 C ATOM 111 CE1 HIS A 8 16.453 28.870 20.898 1.00 31.54 C ATOM 112 NE2 HIS A 8 17.125 28.866 19.764 1.00 61.45 N ATOM 0 H HIS A 8 18.725 26.428 22.661 1.00 41.51 H new ATOM 0 HA HIS A 8 18.832 23.865 21.364 1.00 1.11 H new ATOM 0 HB2 HIS A 8 17.058 24.790 19.948 1.00 42.41 H new ATOM 0 HB3 HIS A 8 16.717 25.057 21.646 1.00 42.41 H new ATOM 0 HD2 HIS A 8 18.175 27.282 18.677 1.00 52.31 H new ATOM 0 HE1 HIS A 8 15.970 29.728 21.342 1.00 31.54 H new ATOM 0 HE2 HIS A 8 17.274 29.675 19.161 1.00 61.45 H new ATOM 121 N HIS A 9 19.857 24.313 19.086 1.00 21.35 N ATOM 122 CA HIS A 9 20.660 24.504 17.887 1.00 31.15 C ATOM 123 C HIS A 9 20.417 23.364 16.904 1.00 12.23 C ATOM 124 O HIS A 9 20.930 22.258 17.080 1.00 1.12 O ATOM 125 CB HIS A 9 22.155 24.584 18.217 1.00 52.45 C ATOM 126 CG HIS A 9 22.955 25.233 17.131 1.00 31.12 C ATOM 127 ND1 HIS A 9 23.470 24.550 16.051 1.00 71.41 N ATOM 128 CD2 HIS A 9 23.301 26.527 16.954 1.00 11.03 C ATOM 129 CE1 HIS A 9 24.099 25.399 15.258 1.00 11.20 C ATOM 130 NE2 HIS A 9 24.008 26.605 15.785 1.00 2.14 N ATOM 0 H HIS A 9 19.390 23.408 19.137 1.00 21.35 H new ATOM 0 HA HIS A 9 20.358 25.449 17.436 1.00 31.15 H new ATOM 0 HB2 HIS A 9 22.288 25.142 19.144 1.00 52.45 H new ATOM 0 HB3 HIS A 9 22.538 23.579 18.393 1.00 52.45 H new ATOM 0 HD2 HIS A 9 23.063 27.348 17.614 1.00 11.03 H new ATOM 0 HE1 HIS A 9 24.602 25.149 14.336 1.00 11.20 H new ATOM 0 HE2 HIS A 9 24.401 27.457 15.386 1.00 2.14 H new ATOM 139 N HIS A 10 19.615 23.631 15.888 1.00 11.44 N ATOM 140 CA HIS A 10 19.354 22.647 14.847 1.00 63.12 C ATOM 141 C HIS A 10 20.206 22.945 13.623 1.00 33.15 C ATOM 142 O HIS A 10 20.582 24.095 13.388 1.00 45.41 O ATOM 143 CB HIS A 10 17.868 22.640 14.467 1.00 21.20 C ATOM 144 CG HIS A 10 16.954 22.347 15.615 1.00 2.14 C ATOM 145 ND1 HIS A 10 15.971 23.218 16.033 1.00 32.31 N ATOM 146 CD2 HIS A 10 16.878 21.277 16.436 1.00 65.12 C ATOM 147 CE1 HIS A 10 15.337 22.701 17.065 1.00 51.24 C ATOM 148 NE2 HIS A 10 15.863 21.521 17.329 1.00 44.24 N ATOM 0 H HIS A 10 19.132 24.520 15.760 1.00 11.44 H new ATOM 0 HA HIS A 10 19.615 21.661 15.231 1.00 63.12 H new ATOM 0 HB2 HIS A 10 17.606 23.610 14.044 1.00 21.20 H new ATOM 0 HB3 HIS A 10 17.705 21.897 13.686 1.00 21.20 H new ATOM 0 HD2 HIS A 10 17.499 20.394 16.398 1.00 65.12 H new ATOM 0 HE1 HIS A 10 14.524 23.165 17.604 1.00 51.24 H new ATOM 0 HE2 HIS A 10 15.565 20.892 18.075 1.00 44.24 H new ATOM 157 N SER A 11 20.517 21.912 12.859 1.00 10.10 N ATOM 158 CA SER A 11 21.304 22.064 11.647 1.00 75.13 C ATOM 159 C SER A 11 20.413 22.442 10.466 1.00 74.42 C ATOM 160 O SER A 11 19.187 22.319 10.537 1.00 2.40 O ATOM 161 CB SER A 11 22.060 20.764 11.362 1.00 51.30 C ATOM 162 OG SER A 11 21.211 19.634 11.508 1.00 20.34 O ATOM 0 H SER A 11 20.234 20.952 13.058 1.00 10.10 H new ATOM 0 HA SER A 11 22.024 22.870 11.790 1.00 75.13 H new ATOM 0 HB2 SER A 11 22.465 20.790 10.350 1.00 51.30 H new ATOM 0 HB3 SER A 11 22.907 20.676 12.042 1.00 51.30 H new ATOM 0 HG SER A 11 21.718 18.817 11.319 1.00 20.34 H new ATOM 168 N SER A 12 21.028 22.913 9.391 1.00 12.44 N ATOM 169 CA SER A 12 20.293 23.264 8.187 1.00 30.23 C ATOM 170 C SER A 12 20.674 22.337 7.040 1.00 34.55 C ATOM 171 O SER A 12 21.843 22.245 6.662 1.00 44.13 O ATOM 172 CB SER A 12 20.554 24.723 7.807 1.00 13.02 C ATOM 173 OG SER A 12 20.050 25.602 8.801 1.00 62.11 O ATOM 0 H SER A 12 22.035 23.061 9.329 1.00 12.44 H new ATOM 0 HA SER A 12 19.228 23.145 8.386 1.00 30.23 H new ATOM 0 HB2 SER A 12 21.625 24.885 7.682 1.00 13.02 H new ATOM 0 HB3 SER A 12 20.084 24.943 6.849 1.00 13.02 H new ATOM 0 HG SER A 12 20.229 26.529 8.539 1.00 62.11 H new ATOM 179 N GLY A 13 19.683 21.645 6.502 1.00 13.51 N ATOM 180 CA GLY A 13 19.920 20.706 5.428 1.00 44.11 C ATOM 181 C GLY A 13 18.625 20.217 4.833 1.00 21.23 C ATOM 182 O GLY A 13 17.936 19.384 5.424 1.00 42.44 O ATOM 0 H GLY A 13 18.709 21.719 6.794 1.00 13.51 H new ATOM 0 HA2 GLY A 13 20.522 21.181 4.653 1.00 44.11 H new ATOM 0 HA3 GLY A 13 20.493 19.858 5.803 1.00 44.11 H new ATOM 186 N ARG A 14 18.285 20.741 3.671 1.00 33.11 N ATOM 187 CA ARG A 14 17.024 20.413 3.036 1.00 33.00 C ATOM 188 C ARG A 14 17.252 19.758 1.681 1.00 42.11 C ATOM 189 O ARG A 14 18.165 20.131 0.943 1.00 74.33 O ATOM 190 CB ARG A 14 16.170 21.674 2.885 1.00 22.23 C ATOM 191 CG ARG A 14 16.843 22.775 2.084 1.00 53.24 C ATOM 192 CD ARG A 14 15.991 24.029 2.042 1.00 72.45 C ATOM 193 NE ARG A 14 16.578 25.060 1.191 1.00 54.41 N ATOM 194 CZ ARG A 14 15.873 26.005 0.569 1.00 33.42 C ATOM 195 NH1 ARG A 14 14.566 26.114 0.779 1.00 60.24 N ATOM 196 NH2 ARG A 14 16.482 26.869 -0.233 1.00 4.43 N ATOM 0 H ARG A 14 18.865 21.396 3.147 1.00 33.11 H new ATOM 0 HA ARG A 14 16.494 19.701 3.668 1.00 33.00 H new ATOM 0 HB2 ARG A 14 15.229 21.409 2.403 1.00 22.23 H new ATOM 0 HB3 ARG A 14 15.924 22.056 3.876 1.00 22.23 H new ATOM 0 HG2 ARG A 14 17.813 23.007 2.525 1.00 53.24 H new ATOM 0 HG3 ARG A 14 17.030 22.426 1.068 1.00 53.24 H new ATOM 0 HD2 ARG A 14 14.996 23.779 1.675 1.00 72.45 H new ATOM 0 HD3 ARG A 14 15.869 24.419 3.053 1.00 72.45 H new ATOM 0 HE ARG A 14 17.590 25.057 1.065 1.00 54.41 H new ATOM 0 HH11 ARG A 14 14.097 25.473 1.419 1.00 60.24 H new ATOM 0 HH12 ARG A 14 14.031 26.839 0.300 1.00 60.24 H new ATOM 0 HH21 ARG A 14 17.491 26.810 -0.374 1.00 4.43 H new ATOM 0 HH22 ARG A 14 15.942 27.592 -0.708 1.00 4.43 H new ATOM 210 N GLU A 15 16.426 18.774 1.372 1.00 55.22 N ATOM 211 CA GLU A 15 16.495 18.077 0.100 1.00 4.45 C ATOM 212 C GLU A 15 15.081 17.818 -0.420 1.00 13.20 C ATOM 213 O GLU A 15 14.261 17.192 0.255 1.00 33.24 O ATOM 214 CB GLU A 15 17.292 16.763 0.217 1.00 54.32 C ATOM 215 CG GLU A 15 16.698 15.713 1.157 1.00 75.11 C ATOM 216 CD GLU A 15 16.742 16.108 2.621 1.00 63.24 C ATOM 217 OE1 GLU A 15 17.823 16.006 3.243 1.00 20.13 O ATOM 218 OE2 GLU A 15 15.689 16.502 3.167 1.00 51.43 O ATOM 0 H GLU A 15 15.691 18.437 1.993 1.00 55.22 H new ATOM 0 HA GLU A 15 17.026 18.708 -0.613 1.00 4.45 H new ATOM 0 HB2 GLU A 15 17.384 16.325 -0.777 1.00 54.32 H new ATOM 0 HB3 GLU A 15 18.301 16.999 0.556 1.00 54.32 H new ATOM 0 HG2 GLU A 15 15.663 15.527 0.871 1.00 75.11 H new ATOM 0 HG3 GLU A 15 17.238 14.775 1.027 1.00 75.11 H new ATOM 225 N ASN A 16 14.787 18.325 -1.607 1.00 15.42 N ATOM 226 CA ASN A 16 13.448 18.197 -2.174 1.00 41.02 C ATOM 227 C ASN A 16 13.503 18.171 -3.699 1.00 62.41 C ATOM 228 O ASN A 16 13.548 19.219 -4.347 1.00 11.24 O ATOM 229 CB ASN A 16 12.560 19.354 -1.696 1.00 50.13 C ATOM 230 CG ASN A 16 11.153 19.277 -2.257 1.00 51.24 C ATOM 231 OD1 ASN A 16 10.642 18.198 -2.536 1.00 72.24 O ATOM 232 ND2 ASN A 16 10.507 20.423 -2.408 1.00 54.24 N ATOM 0 H ASN A 16 15.451 18.827 -2.196 1.00 15.42 H new ATOM 0 HA ASN A 16 13.020 17.255 -1.832 1.00 41.02 H new ATOM 0 HB2 ASN A 16 12.514 19.347 -0.607 1.00 50.13 H new ATOM 0 HB3 ASN A 16 13.013 20.301 -1.990 1.00 50.13 H new ATOM 0 HD21 ASN A 16 9.552 20.427 -2.767 1.00 54.24 H new ATOM 0 HD22 ASN A 16 10.964 21.302 -2.165 1.00 54.24 H new ATOM 239 N LEU A 17 13.532 16.972 -4.267 1.00 44.30 N ATOM 240 CA LEU A 17 13.572 16.817 -5.717 1.00 51.11 C ATOM 241 C LEU A 17 12.598 15.735 -6.172 1.00 73.42 C ATOM 242 O LEU A 17 12.938 14.553 -6.204 1.00 65.33 O ATOM 243 CB LEU A 17 14.987 16.470 -6.213 1.00 0.14 C ATOM 244 CG LEU A 17 16.056 17.561 -6.041 1.00 13.32 C ATOM 245 CD1 LEU A 17 16.643 17.543 -4.637 1.00 25.24 C ATOM 246 CD2 LEU A 17 17.157 17.390 -7.079 1.00 54.31 C ATOM 0 H LEU A 17 13.529 16.094 -3.748 1.00 44.30 H new ATOM 0 HA LEU A 17 13.279 17.774 -6.148 1.00 51.11 H new ATOM 0 HB2 LEU A 17 15.324 15.576 -5.689 1.00 0.14 H new ATOM 0 HB3 LEU A 17 14.926 16.215 -7.271 1.00 0.14 H new ATOM 0 HG LEU A 17 15.577 18.528 -6.191 1.00 13.32 H new ATOM 0 HD11 LEU A 17 17.396 18.326 -4.547 1.00 25.24 H new ATOM 0 HD12 LEU A 17 15.850 17.716 -3.909 1.00 25.24 H new ATOM 0 HD13 LEU A 17 17.104 16.573 -4.448 1.00 25.24 H new ATOM 0 HD21 LEU A 17 17.907 18.169 -6.945 1.00 54.31 H new ATOM 0 HD22 LEU A 17 17.624 16.412 -6.957 1.00 54.31 H new ATOM 0 HD23 LEU A 17 16.729 17.466 -8.079 1.00 54.31 H new ATOM 258 N TYR A 18 11.378 16.139 -6.491 1.00 63.20 N ATOM 259 CA TYR A 18 10.408 15.230 -7.083 1.00 21.24 C ATOM 260 C TYR A 18 10.261 15.545 -8.565 1.00 75.05 C ATOM 261 O TYR A 18 9.727 16.587 -8.938 1.00 41.54 O ATOM 262 CB TYR A 18 9.052 15.328 -6.377 1.00 54.34 C ATOM 263 CG TYR A 18 9.092 14.924 -4.918 1.00 43.21 C ATOM 264 CD1 TYR A 18 9.220 13.589 -4.546 1.00 42.11 C ATOM 265 CD2 TYR A 18 9.004 15.877 -3.915 1.00 50.44 C ATOM 266 CE1 TYR A 18 9.260 13.220 -3.213 1.00 75.25 C ATOM 267 CE2 TYR A 18 9.042 15.517 -2.581 1.00 14.21 C ATOM 268 CZ TYR A 18 9.171 14.189 -2.235 1.00 1.12 C ATOM 269 OH TYR A 18 9.205 13.828 -0.906 1.00 72.30 O ATOM 0 H TYR A 18 11.036 17.090 -6.350 1.00 63.20 H new ATOM 0 HA TYR A 18 10.768 14.208 -6.962 1.00 21.24 H new ATOM 0 HB2 TYR A 18 8.688 16.353 -6.451 1.00 54.34 H new ATOM 0 HB3 TYR A 18 8.334 14.696 -6.900 1.00 54.34 H new ATOM 0 HD1 TYR A 18 9.289 12.829 -5.310 1.00 42.11 H new ATOM 0 HD2 TYR A 18 8.904 16.919 -4.181 1.00 50.44 H new ATOM 0 HE1 TYR A 18 9.360 12.180 -2.940 1.00 75.25 H new ATOM 0 HE2 TYR A 18 8.971 16.273 -1.813 1.00 14.21 H new ATOM 0 HH TYR A 18 9.132 14.630 -0.347 1.00 72.30 H new ATOM 279 N PHE A 19 10.756 14.649 -9.405 1.00 55.14 N ATOM 280 CA PHE A 19 10.782 14.881 -10.844 1.00 5.35 C ATOM 281 C PHE A 19 9.371 14.918 -11.424 1.00 64.21 C ATOM 282 O PHE A 19 8.983 15.895 -12.062 1.00 71.32 O ATOM 283 CB PHE A 19 11.619 13.806 -11.537 1.00 64.11 C ATOM 284 CG PHE A 19 13.043 13.765 -11.057 1.00 13.24 C ATOM 285 CD1 PHE A 19 13.941 14.748 -11.440 1.00 40.21 C ATOM 286 CD2 PHE A 19 13.480 12.752 -10.217 1.00 22.13 C ATOM 287 CE1 PHE A 19 15.251 14.717 -11.001 1.00 43.14 C ATOM 288 CE2 PHE A 19 14.789 12.716 -9.775 1.00 35.43 C ATOM 289 CZ PHE A 19 15.674 13.702 -10.165 1.00 14.12 C ATOM 0 H PHE A 19 11.146 13.752 -9.116 1.00 55.14 H new ATOM 0 HA PHE A 19 11.240 15.854 -11.022 1.00 5.35 H new ATOM 0 HB2 PHE A 19 11.158 12.832 -11.371 1.00 64.11 H new ATOM 0 HB3 PHE A 19 11.610 13.984 -12.612 1.00 64.11 H new ATOM 0 HD1 PHE A 19 13.614 15.547 -12.089 1.00 40.21 H new ATOM 0 HD2 PHE A 19 12.790 11.982 -9.905 1.00 22.13 H new ATOM 0 HE1 PHE A 19 15.943 15.486 -11.311 1.00 43.14 H new ATOM 0 HE2 PHE A 19 15.119 11.918 -9.126 1.00 35.43 H new ATOM 0 HZ PHE A 19 16.696 13.679 -9.817 1.00 14.12 H new ATOM 299 N GLN A 20 8.603 13.867 -11.189 1.00 72.30 N ATOM 300 CA GLN A 20 7.239 13.807 -11.695 1.00 31.14 C ATOM 301 C GLN A 20 6.234 13.973 -10.562 1.00 23.42 C ATOM 302 O GLN A 20 6.367 13.358 -9.505 1.00 72.41 O ATOM 303 CB GLN A 20 6.990 12.495 -12.448 1.00 51.43 C ATOM 304 CG GLN A 20 7.333 11.239 -11.657 1.00 60.23 C ATOM 305 CD GLN A 20 7.003 9.966 -12.415 1.00 35.22 C ATOM 306 OE1 GLN A 20 6.068 9.932 -13.215 1.00 72.44 O ATOM 307 NE2 GLN A 20 7.776 8.915 -12.181 1.00 1.23 N ATOM 0 H GLN A 20 8.896 13.049 -10.655 1.00 72.30 H new ATOM 0 HA GLN A 20 7.105 14.631 -12.396 1.00 31.14 H new ATOM 0 HB2 GLN A 20 5.940 12.451 -12.739 1.00 51.43 H new ATOM 0 HB3 GLN A 20 7.575 12.502 -13.367 1.00 51.43 H new ATOM 0 HG2 GLN A 20 8.395 11.247 -11.412 1.00 60.23 H new ATOM 0 HG3 GLN A 20 6.788 11.248 -10.713 1.00 60.23 H new ATOM 0 HE21 GLN A 20 8.541 8.984 -11.510 1.00 1.23 H new ATOM 0 HE22 GLN A 20 7.606 8.037 -12.672 1.00 1.23 H new ATOM 316 N GLY A 21 5.229 14.810 -10.794 1.00 12.11 N ATOM 317 CA GLY A 21 4.210 15.051 -9.790 1.00 61.15 C ATOM 318 C GLY A 21 2.900 14.381 -10.140 1.00 42.52 C ATOM 319 O GLY A 21 1.894 15.049 -10.389 1.00 13.10 O ATOM 0 H GLY A 21 5.102 15.328 -11.663 1.00 12.11 H new ATOM 0 HA2 GLY A 21 4.558 14.684 -8.825 1.00 61.15 H new ATOM 0 HA3 GLY A 21 4.052 16.124 -9.685 1.00 61.15 H new ATOM 323 N HIS A 22 2.912 13.060 -10.179 1.00 2.51 N ATOM 324 CA HIS A 22 1.710 12.292 -10.470 1.00 14.33 C ATOM 325 C HIS A 22 1.544 11.208 -9.415 1.00 11.21 C ATOM 326 O HIS A 22 1.496 10.019 -9.731 1.00 62.22 O ATOM 327 CB HIS A 22 1.791 11.679 -11.877 1.00 22.13 C ATOM 328 CG HIS A 22 0.477 11.175 -12.408 1.00 63.13 C ATOM 329 ND1 HIS A 22 -0.283 11.883 -13.310 1.00 33.13 N ATOM 330 CD2 HIS A 22 -0.202 10.025 -12.173 1.00 34.54 C ATOM 331 CE1 HIS A 22 -1.371 11.198 -13.603 1.00 5.33 C ATOM 332 NE2 HIS A 22 -1.348 10.065 -12.926 1.00 13.45 N ATOM 0 H HIS A 22 3.744 12.493 -10.012 1.00 2.51 H new ATOM 0 HA HIS A 22 0.842 12.951 -10.445 1.00 14.33 H new ATOM 0 HB2 HIS A 22 2.185 12.427 -12.565 1.00 22.13 H new ATOM 0 HB3 HIS A 22 2.504 10.854 -11.861 1.00 22.13 H new ATOM 0 HD2 HIS A 22 0.103 9.225 -11.515 1.00 34.54 H new ATOM 0 HE1 HIS A 22 -2.150 11.511 -14.282 1.00 5.33 H new ATOM 0 HE2 HIS A 22 -2.064 9.339 -12.958 1.00 13.45 H new ATOM 341 N LEU A 23 1.473 11.646 -8.159 1.00 12.25 N ATOM 342 CA LEU A 23 1.413 10.751 -7.008 1.00 30.22 C ATOM 343 C LEU A 23 2.736 10.004 -6.841 1.00 43.21 C ATOM 344 O LEU A 23 3.600 10.042 -7.715 1.00 32.41 O ATOM 345 CB LEU A 23 0.244 9.762 -7.125 1.00 2.13 C ATOM 346 CG LEU A 23 -1.148 10.397 -7.107 1.00 0.22 C ATOM 347 CD1 LEU A 23 -2.213 9.333 -7.304 1.00 40.45 C ATOM 348 CD2 LEU A 23 -1.381 11.138 -5.798 1.00 51.33 C ATOM 0 H LEU A 23 1.455 12.635 -7.912 1.00 12.25 H new ATOM 0 HA LEU A 23 1.242 11.361 -6.121 1.00 30.22 H new ATOM 0 HB2 LEU A 23 0.357 9.198 -8.051 1.00 2.13 H new ATOM 0 HB3 LEU A 23 0.310 9.046 -6.306 1.00 2.13 H new ATOM 0 HG LEU A 23 -1.211 11.114 -7.926 1.00 0.22 H new ATOM 0 HD11 LEU A 23 -3.199 9.798 -7.289 1.00 40.45 H new ATOM 0 HD12 LEU A 23 -2.060 8.838 -8.263 1.00 40.45 H new ATOM 0 HD13 LEU A 23 -2.146 8.598 -6.502 1.00 40.45 H new ATOM 0 HD21 LEU A 23 -2.376 11.583 -5.804 1.00 51.33 H new ATOM 0 HD22 LEU A 23 -1.301 10.439 -4.965 1.00 51.33 H new ATOM 0 HD23 LEU A 23 -0.633 11.923 -5.686 1.00 51.33 H new ATOM 360 N ARG A 24 2.904 9.349 -5.708 1.00 72.10 N ATOM 361 CA ARG A 24 4.131 8.630 -5.429 1.00 12.12 C ATOM 362 C ARG A 24 3.817 7.356 -4.656 1.00 32.34 C ATOM 363 O ARG A 24 3.128 7.394 -3.636 1.00 22.44 O ATOM 364 CB ARG A 24 5.079 9.535 -4.629 1.00 14.45 C ATOM 365 CG ARG A 24 6.561 9.317 -4.904 1.00 74.32 C ATOM 366 CD ARG A 24 7.062 7.976 -4.389 1.00 40.13 C ATOM 367 NE ARG A 24 8.499 7.826 -4.606 1.00 20.23 N ATOM 368 CZ ARG A 24 9.084 6.719 -5.058 1.00 2.44 C ATOM 369 NH1 ARG A 24 8.380 5.605 -5.237 1.00 21.44 N ATOM 370 NH2 ARG A 24 10.390 6.718 -5.288 1.00 71.15 N ATOM 0 H ARG A 24 2.206 9.300 -4.966 1.00 72.10 H new ATOM 0 HA ARG A 24 4.618 8.352 -6.364 1.00 12.12 H new ATOM 0 HB2 ARG A 24 4.834 10.575 -4.846 1.00 14.45 H new ATOM 0 HB3 ARG A 24 4.895 9.379 -3.566 1.00 14.45 H new ATOM 0 HG2 ARG A 24 6.740 9.379 -5.977 1.00 74.32 H new ATOM 0 HG3 ARG A 24 7.135 10.118 -4.438 1.00 74.32 H new ATOM 0 HD2 ARG A 24 6.842 7.888 -3.325 1.00 40.13 H new ATOM 0 HD3 ARG A 24 6.530 7.169 -4.893 1.00 40.13 H new ATOM 0 HE ARG A 24 9.096 8.626 -4.396 1.00 20.23 H new ATOM 0 HH11 ARG A 24 7.382 5.593 -5.027 1.00 21.44 H new ATOM 0 HH12 ARG A 24 8.838 4.762 -5.584 1.00 21.44 H new ATOM 0 HH21 ARG A 24 10.938 7.561 -5.118 1.00 71.15 H new ATOM 0 HH22 ARG A 24 10.846 5.874 -5.634 1.00 71.15 H new ATOM 384 N GLU A 25 4.306 6.232 -5.161 1.00 64.33 N ATOM 385 CA GLU A 25 4.113 4.942 -4.509 1.00 52.42 C ATOM 386 C GLU A 25 4.899 4.905 -3.203 1.00 44.00 C ATOM 387 O GLU A 25 6.127 5.018 -3.206 1.00 74.54 O ATOM 388 CB GLU A 25 4.555 3.822 -5.450 1.00 44.21 C ATOM 389 CG GLU A 25 3.982 2.460 -5.109 1.00 44.41 C ATOM 390 CD GLU A 25 4.183 1.461 -6.230 1.00 65.54 C ATOM 391 OE1 GLU A 25 3.957 1.828 -7.405 1.00 63.42 O ATOM 392 OE2 GLU A 25 4.541 0.300 -5.945 1.00 61.31 O ATOM 0 H GLU A 25 4.843 6.187 -6.027 1.00 64.33 H new ATOM 0 HA GLU A 25 3.058 4.798 -4.277 1.00 52.42 H new ATOM 0 HB2 GLU A 25 4.263 4.082 -6.468 1.00 44.21 H new ATOM 0 HB3 GLU A 25 5.643 3.760 -5.436 1.00 44.21 H new ATOM 0 HG2 GLU A 25 4.454 2.085 -4.201 1.00 44.41 H new ATOM 0 HG3 GLU A 25 2.917 2.558 -4.897 1.00 44.41 H new ATOM 399 N LEU A 26 4.186 4.757 -2.093 1.00 74.22 N ATOM 400 CA LEU A 26 4.788 4.895 -0.772 1.00 35.23 C ATOM 401 C LEU A 26 5.237 3.544 -0.224 1.00 31.31 C ATOM 402 O LEU A 26 6.425 3.330 0.028 1.00 63.43 O ATOM 403 CB LEU A 26 3.781 5.562 0.181 1.00 34.21 C ATOM 404 CG LEU A 26 4.342 6.116 1.504 1.00 61.14 C ATOM 405 CD1 LEU A 26 4.648 5.008 2.499 1.00 55.43 C ATOM 406 CD2 LEU A 26 5.588 6.942 1.248 1.00 74.10 C ATOM 0 H LEU A 26 3.189 4.541 -2.081 1.00 74.22 H new ATOM 0 HA LEU A 26 5.675 5.523 -0.856 1.00 35.23 H new ATOM 0 HB2 LEU A 26 3.298 6.381 -0.353 1.00 34.21 H new ATOM 0 HB3 LEU A 26 3.005 4.835 0.419 1.00 34.21 H new ATOM 0 HG LEU A 26 3.572 6.752 1.941 1.00 61.14 H new ATOM 0 HD11 LEU A 26 5.041 5.443 3.418 1.00 55.43 H new ATOM 0 HD12 LEU A 26 3.735 4.456 2.721 1.00 55.43 H new ATOM 0 HD13 LEU A 26 5.387 4.330 2.073 1.00 55.43 H new ATOM 0 HD21 LEU A 26 5.971 7.326 2.194 1.00 74.10 H new ATOM 0 HD22 LEU A 26 6.347 6.319 0.775 1.00 74.10 H new ATOM 0 HD23 LEU A 26 5.343 7.776 0.591 1.00 74.10 H new ATOM 418 N LEU A 27 4.294 2.630 -0.047 1.00 4.31 N ATOM 419 CA LEU A 27 4.595 1.359 0.591 1.00 14.25 C ATOM 420 C LEU A 27 3.827 0.224 -0.064 1.00 5.41 C ATOM 421 O LEU A 27 2.834 0.451 -0.751 1.00 42.15 O ATOM 422 CB LEU A 27 4.269 1.428 2.093 1.00 32.11 C ATOM 423 CG LEU A 27 2.777 1.415 2.466 1.00 62.22 C ATOM 424 CD1 LEU A 27 2.306 0.001 2.783 1.00 61.41 C ATOM 425 CD2 LEU A 27 2.509 2.340 3.644 1.00 44.45 C ATOM 0 H LEU A 27 3.322 2.744 -0.334 1.00 4.31 H new ATOM 0 HA LEU A 27 5.660 1.161 0.469 1.00 14.25 H new ATOM 0 HB2 LEU A 27 4.753 0.586 2.588 1.00 32.11 H new ATOM 0 HB3 LEU A 27 4.716 2.336 2.499 1.00 32.11 H new ATOM 0 HG LEU A 27 2.213 1.777 1.606 1.00 62.22 H new ATOM 0 HD11 LEU A 27 1.248 0.020 3.044 1.00 61.41 H new ATOM 0 HD12 LEU A 27 2.454 -0.636 1.911 1.00 61.41 H new ATOM 0 HD13 LEU A 27 2.879 -0.394 3.622 1.00 61.41 H new ATOM 0 HD21 LEU A 27 1.448 2.316 3.891 1.00 44.45 H new ATOM 0 HD22 LEU A 27 3.090 2.010 4.505 1.00 44.45 H new ATOM 0 HD23 LEU A 27 2.797 3.358 3.380 1.00 44.45 H new ATOM 437 N ARG A 28 4.292 -0.994 0.170 1.00 11.12 N ATOM 438 CA ARG A 28 3.656 -2.187 -0.367 1.00 0.33 C ATOM 439 C ARG A 28 3.547 -3.255 0.718 1.00 5.41 C ATOM 440 O ARG A 28 4.484 -3.466 1.481 1.00 62.32 O ATOM 441 CB ARG A 28 4.433 -2.712 -1.590 1.00 63.04 C ATOM 442 CG ARG A 28 5.943 -2.472 -1.535 1.00 70.33 C ATOM 443 CD ARG A 28 6.734 -3.751 -1.280 1.00 13.11 C ATOM 444 NE ARG A 28 6.494 -4.295 0.056 1.00 4.11 N ATOM 445 CZ ARG A 28 7.339 -5.077 0.720 1.00 62.25 C ATOM 446 NH1 ARG A 28 8.521 -5.398 0.204 1.00 21.54 N ATOM 447 NH2 ARG A 28 7.007 -5.525 1.926 1.00 54.32 N ATOM 0 H ARG A 28 5.119 -1.183 0.736 1.00 11.12 H new ATOM 0 HA ARG A 28 2.649 -1.932 -0.698 1.00 0.33 H new ATOM 0 HB2 ARG A 28 4.252 -3.782 -1.687 1.00 63.04 H new ATOM 0 HB3 ARG A 28 4.035 -2.238 -2.488 1.00 63.04 H new ATOM 0 HG2 ARG A 28 6.271 -2.029 -2.475 1.00 70.33 H new ATOM 0 HG3 ARG A 28 6.164 -1.750 -0.748 1.00 70.33 H new ATOM 0 HD2 ARG A 28 6.465 -4.497 -2.027 1.00 13.11 H new ATOM 0 HD3 ARG A 28 7.798 -3.548 -1.401 1.00 13.11 H new ATOM 0 HE ARG A 28 5.613 -4.057 0.512 1.00 4.11 H new ATOM 0 HH11 ARG A 28 8.790 -5.043 -0.714 1.00 21.54 H new ATOM 0 HH12 ARG A 28 9.159 -5.999 0.726 1.00 21.54 H new ATOM 0 HH21 ARG A 28 6.109 -5.268 2.336 1.00 54.32 H new ATOM 0 HH22 ARG A 28 7.650 -6.126 2.442 1.00 54.32 H new ATOM 461 N THR A 29 2.398 -3.903 0.809 1.00 32.40 N ATOM 462 CA THR A 29 2.193 -4.938 1.806 1.00 11.11 C ATOM 463 C THR A 29 1.311 -6.058 1.257 1.00 50.55 C ATOM 464 O THR A 29 0.825 -5.988 0.123 1.00 62.22 O ATOM 465 CB THR A 29 1.561 -4.360 3.097 1.00 45.50 C ATOM 466 OG1 THR A 29 1.612 -5.336 4.145 1.00 10.42 O ATOM 467 CG2 THR A 29 0.118 -3.932 2.867 1.00 34.43 C ATOM 0 H THR A 29 1.594 -3.730 0.205 1.00 32.40 H new ATOM 0 HA THR A 29 3.172 -5.348 2.053 1.00 11.11 H new ATOM 0 HB THR A 29 2.135 -3.479 3.385 1.00 45.50 H new ATOM 0 HG1 THR A 29 2.543 -5.601 4.300 1.00 10.42 H new ATOM 0 HG21 THR A 29 -0.295 -3.531 3.793 1.00 34.43 H new ATOM 0 HG22 THR A 29 0.085 -3.165 2.093 1.00 34.43 H new ATOM 0 HG23 THR A 29 -0.471 -4.793 2.550 1.00 34.43 H new ATOM 475 N ASN A 30 1.120 -7.090 2.059 1.00 75.33 N ATOM 476 CA ASN A 30 0.287 -8.221 1.676 1.00 45.33 C ATOM 477 C ASN A 30 -0.897 -8.342 2.622 1.00 41.43 C ATOM 478 O ASN A 30 -1.843 -9.088 2.360 1.00 73.24 O ATOM 479 CB ASN A 30 1.097 -9.522 1.692 1.00 65.42 C ATOM 480 CG ASN A 30 1.576 -9.909 3.084 1.00 31.45 C ATOM 481 OD1 ASN A 30 0.908 -10.646 3.809 1.00 61.44 O ATOM 482 ND2 ASN A 30 2.743 -9.414 3.461 1.00 72.04 N ATOM 0 H ASN A 30 1.534 -7.170 2.988 1.00 75.33 H new ATOM 0 HA ASN A 30 -0.077 -8.050 0.663 1.00 45.33 H new ATOM 0 HB2 ASN A 30 0.486 -10.329 1.287 1.00 65.42 H new ATOM 0 HB3 ASN A 30 1.959 -9.414 1.034 1.00 65.42 H new ATOM 0 HD21 ASN A 30 3.119 -9.640 4.382 1.00 72.04 H new ATOM 0 HD22 ASN A 30 3.267 -8.806 2.831 1.00 72.04 H new ATOM 489 N ASP A 31 -0.840 -7.591 3.718 1.00 71.14 N ATOM 490 CA ASP A 31 -1.862 -7.657 4.752 1.00 31.50 C ATOM 491 C ASP A 31 -2.809 -6.466 4.653 1.00 52.54 C ATOM 492 O ASP A 31 -2.440 -5.407 4.149 1.00 72.14 O ATOM 493 CB ASP A 31 -1.206 -7.706 6.138 1.00 45.40 C ATOM 494 CG ASP A 31 -2.214 -7.596 7.265 1.00 25.32 C ATOM 495 OD1 ASP A 31 -3.119 -8.453 7.351 1.00 52.15 O ATOM 496 OD2 ASP A 31 -2.121 -6.634 8.053 1.00 70.24 O ATOM 0 H ASP A 31 -0.091 -6.926 3.911 1.00 71.14 H new ATOM 0 HA ASP A 31 -2.444 -8.567 4.605 1.00 31.50 H new ATOM 0 HB2 ASP A 31 -0.652 -8.639 6.241 1.00 45.40 H new ATOM 0 HB3 ASP A 31 -0.483 -6.895 6.222 1.00 45.40 H new ATOM 501 N ALA A 32 -4.032 -6.648 5.131 1.00 43.32 N ATOM 502 CA ALA A 32 -5.041 -5.601 5.064 1.00 23.32 C ATOM 503 C ALA A 32 -5.375 -5.065 6.454 1.00 24.03 C ATOM 504 O ALA A 32 -6.038 -4.038 6.590 1.00 54.24 O ATOM 505 CB ALA A 32 -6.299 -6.124 4.384 1.00 31.12 C ATOM 0 H ALA A 32 -4.349 -7.512 5.570 1.00 43.32 H new ATOM 0 HA ALA A 32 -4.635 -4.779 4.475 1.00 23.32 H new ATOM 0 HB1 ALA A 32 -7.046 -5.331 4.340 1.00 31.12 H new ATOM 0 HB2 ALA A 32 -6.057 -6.450 3.373 1.00 31.12 H new ATOM 0 HB3 ALA A 32 -6.696 -6.966 4.952 1.00 31.12 H new ATOM 511 N VAL A 33 -4.905 -5.756 7.487 1.00 11.22 N ATOM 512 CA VAL A 33 -5.194 -5.359 8.862 1.00 1.34 C ATOM 513 C VAL A 33 -4.302 -4.195 9.280 1.00 1.50 C ATOM 514 O VAL A 33 -4.765 -3.230 9.890 1.00 45.25 O ATOM 515 CB VAL A 33 -5.004 -6.535 9.846 1.00 62.15 C ATOM 516 CG1 VAL A 33 -5.367 -6.120 11.265 1.00 73.14 C ATOM 517 CG2 VAL A 33 -5.824 -7.741 9.406 1.00 1.14 C ATOM 0 H VAL A 33 -4.325 -6.590 7.400 1.00 11.22 H new ATOM 0 HA VAL A 33 -6.238 -5.048 8.897 1.00 1.34 H new ATOM 0 HB VAL A 33 -3.951 -6.818 9.838 1.00 62.15 H new ATOM 0 HG11 VAL A 33 -5.225 -6.965 11.939 1.00 73.14 H new ATOM 0 HG12 VAL A 33 -4.727 -5.295 11.578 1.00 73.14 H new ATOM 0 HG13 VAL A 33 -6.409 -5.803 11.296 1.00 73.14 H new ATOM 0 HG21 VAL A 33 -5.677 -8.558 10.112 1.00 1.14 H new ATOM 0 HG22 VAL A 33 -6.880 -7.472 9.378 1.00 1.14 H new ATOM 0 HG23 VAL A 33 -5.503 -8.057 8.413 1.00 1.14 H new ATOM 527 N LEU A 34 -3.025 -4.292 8.937 1.00 34.14 N ATOM 528 CA LEU A 34 -2.057 -3.235 9.220 1.00 13.53 C ATOM 529 C LEU A 34 -2.461 -1.932 8.534 1.00 71.34 C ATOM 530 O LEU A 34 -2.206 -0.837 9.040 1.00 73.12 O ATOM 531 CB LEU A 34 -0.664 -3.665 8.757 1.00 34.52 C ATOM 532 CG LEU A 34 0.448 -2.636 8.967 1.00 1.34 C ATOM 533 CD1 LEU A 34 0.624 -2.331 10.447 1.00 72.24 C ATOM 534 CD2 LEU A 34 1.750 -3.144 8.372 1.00 12.53 C ATOM 0 H LEU A 34 -2.630 -5.100 8.457 1.00 34.14 H new ATOM 0 HA LEU A 34 -2.038 -3.063 10.296 1.00 13.53 H new ATOM 0 HB2 LEU A 34 -0.392 -4.580 9.283 1.00 34.52 H new ATOM 0 HB3 LEU A 34 -0.713 -3.910 7.696 1.00 34.52 H new ATOM 0 HG LEU A 34 0.167 -1.713 8.459 1.00 1.34 H new ATOM 0 HD11 LEU A 34 1.420 -1.597 10.575 1.00 72.24 H new ATOM 0 HD12 LEU A 34 -0.307 -1.931 10.849 1.00 72.24 H new ATOM 0 HD13 LEU A 34 0.886 -3.246 10.978 1.00 72.24 H new ATOM 0 HD21 LEU A 34 2.534 -2.403 8.527 1.00 12.53 H new ATOM 0 HD22 LEU A 34 2.032 -4.078 8.858 1.00 12.53 H new ATOM 0 HD23 LEU A 34 1.619 -3.315 7.304 1.00 12.53 H new ATOM 546 N LEU A 35 -3.109 -2.067 7.383 1.00 5.44 N ATOM 547 CA LEU A 35 -3.545 -0.914 6.602 1.00 44.23 C ATOM 548 C LEU A 35 -4.556 -0.059 7.369 1.00 70.40 C ATOM 549 O LEU A 35 -4.710 1.125 7.080 1.00 21.11 O ATOM 550 CB LEU A 35 -4.136 -1.368 5.265 1.00 53.32 C ATOM 551 CG LEU A 35 -3.126 -1.933 4.265 1.00 1.31 C ATOM 552 CD1 LEU A 35 -3.835 -2.406 3.010 1.00 22.24 C ATOM 553 CD2 LEU A 35 -2.079 -0.887 3.919 1.00 51.51 C ATOM 0 H LEU A 35 -3.345 -2.968 6.968 1.00 5.44 H new ATOM 0 HA LEU A 35 -2.668 -0.295 6.411 1.00 44.23 H new ATOM 0 HB2 LEU A 35 -4.894 -2.127 5.460 1.00 53.32 H new ATOM 0 HB3 LEU A 35 -4.644 -0.521 4.804 1.00 53.32 H new ATOM 0 HG LEU A 35 -2.624 -2.785 4.723 1.00 1.31 H new ATOM 0 HD11 LEU A 35 -3.104 -2.805 2.308 1.00 22.24 H new ATOM 0 HD12 LEU A 35 -4.552 -3.185 3.269 1.00 22.24 H new ATOM 0 HD13 LEU A 35 -4.359 -1.568 2.551 1.00 22.24 H new ATOM 0 HD21 LEU A 35 -1.368 -1.305 3.206 1.00 51.51 H new ATOM 0 HD22 LEU A 35 -2.566 -0.017 3.478 1.00 51.51 H new ATOM 0 HD23 LEU A 35 -1.551 -0.587 4.824 1.00 51.51 H new ATOM 565 N SER A 36 -5.236 -0.654 8.349 1.00 53.14 N ATOM 566 CA SER A 36 -6.189 0.084 9.171 1.00 23.32 C ATOM 567 C SER A 36 -5.483 1.218 9.916 1.00 31.01 C ATOM 568 O SER A 36 -5.973 2.349 9.957 1.00 1.13 O ATOM 569 CB SER A 36 -6.870 -0.854 10.169 1.00 45.31 C ATOM 570 OG SER A 36 -7.510 -1.933 9.512 1.00 31.20 O ATOM 0 H SER A 36 -5.144 -1.641 8.591 1.00 53.14 H new ATOM 0 HA SER A 36 -6.949 0.513 8.517 1.00 23.32 H new ATOM 0 HB2 SER A 36 -6.130 -1.240 10.870 1.00 45.31 H new ATOM 0 HB3 SER A 36 -7.602 -0.296 10.753 1.00 45.31 H new ATOM 0 HG SER A 36 -6.875 -2.671 9.399 1.00 31.20 H new ATOM 576 N ALA A 37 -4.327 0.912 10.494 1.00 15.33 N ATOM 577 CA ALA A 37 -3.538 1.912 11.201 1.00 72.30 C ATOM 578 C ALA A 37 -2.977 2.939 10.227 1.00 43.31 C ATOM 579 O ALA A 37 -2.988 4.139 10.503 1.00 3.14 O ATOM 580 CB ALA A 37 -2.414 1.247 11.983 1.00 71.51 C ATOM 0 H ALA A 37 -3.916 -0.021 10.486 1.00 15.33 H new ATOM 0 HA ALA A 37 -4.189 2.429 11.905 1.00 72.30 H new ATOM 0 HB1 ALA A 37 -1.834 2.008 12.505 1.00 71.51 H new ATOM 0 HB2 ALA A 37 -2.837 0.552 12.708 1.00 71.51 H new ATOM 0 HB3 ALA A 37 -1.765 0.704 11.296 1.00 71.51 H new ATOM 586 N VAL A 38 -2.506 2.457 9.081 1.00 2.34 N ATOM 587 CA VAL A 38 -1.955 3.325 8.045 1.00 20.13 C ATOM 588 C VAL A 38 -3.010 4.318 7.572 1.00 1.35 C ATOM 589 O VAL A 38 -2.745 5.515 7.449 1.00 30.15 O ATOM 590 CB VAL A 38 -1.449 2.507 6.837 1.00 0.00 C ATOM 591 CG1 VAL A 38 -0.834 3.416 5.783 1.00 73.23 C ATOM 592 CG2 VAL A 38 -0.449 1.452 7.283 1.00 33.20 C ATOM 0 H VAL A 38 -2.495 1.465 8.845 1.00 2.34 H new ATOM 0 HA VAL A 38 -1.112 3.862 8.480 1.00 20.13 H new ATOM 0 HB VAL A 38 -2.305 2.002 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.486 2.815 4.943 1.00 73.23 H new ATOM 0 HG12 VAL A 38 -1.583 4.127 5.434 1.00 73.23 H new ATOM 0 HG13 VAL A 38 0.007 3.957 6.216 1.00 73.23 H new ATOM 0 HG21 VAL A 38 -0.105 0.887 6.416 1.00 33.20 H new ATOM 0 HG22 VAL A 38 0.402 1.937 7.761 1.00 33.20 H new ATOM 0 HG23 VAL A 38 -0.926 0.775 7.991 1.00 33.20 H new ATOM 602 N GLY A 39 -4.214 3.808 7.337 1.00 13.53 N ATOM 603 CA GLY A 39 -5.304 4.638 6.869 1.00 44.03 C ATOM 604 C GLY A 39 -5.686 5.698 7.876 1.00 23.03 C ATOM 605 O GLY A 39 -5.862 6.860 7.522 1.00 63.14 O ATOM 0 H GLY A 39 -4.454 2.825 7.464 1.00 13.53 H new ATOM 0 HA2 GLY A 39 -5.019 5.116 5.932 1.00 44.03 H new ATOM 0 HA3 GLY A 39 -6.170 4.012 6.657 1.00 44.03 H new ATOM 609 N ALA A 40 -5.783 5.302 9.140 1.00 14.00 N ATOM 610 CA ALA A 40 -6.138 6.226 10.212 1.00 24.43 C ATOM 611 C ALA A 40 -5.119 7.356 10.319 1.00 51.51 C ATOM 612 O ALA A 40 -5.467 8.491 10.643 1.00 13.11 O ATOM 613 CB ALA A 40 -6.245 5.485 11.536 1.00 32.04 C ATOM 0 H ALA A 40 -5.620 4.344 9.449 1.00 14.00 H new ATOM 0 HA ALA A 40 -7.108 6.664 9.975 1.00 24.43 H new ATOM 0 HB1 ALA A 40 -6.510 6.188 12.326 1.00 32.04 H new ATOM 0 HB2 ALA A 40 -7.014 4.716 11.461 1.00 32.04 H new ATOM 0 HB3 ALA A 40 -5.288 5.020 11.771 1.00 32.04 H new ATOM 619 N LEU A 41 -3.862 7.039 10.032 1.00 53.35 N ATOM 620 CA LEU A 41 -2.792 8.027 10.070 1.00 61.13 C ATOM 621 C LEU A 41 -2.909 8.992 8.899 1.00 51.12 C ATOM 622 O LEU A 41 -2.840 10.208 9.075 1.00 10.10 O ATOM 623 CB LEU A 41 -1.426 7.335 10.044 1.00 52.02 C ATOM 624 CG LEU A 41 -1.122 6.445 11.251 1.00 0.05 C ATOM 625 CD1 LEU A 41 0.246 5.796 11.108 1.00 51.22 C ATOM 626 CD2 LEU A 41 -1.200 7.246 12.536 1.00 62.14 C ATOM 0 H LEU A 41 -3.558 6.101 9.769 1.00 53.35 H new ATOM 0 HA LEU A 41 -2.884 8.593 10.997 1.00 61.13 H new ATOM 0 HB2 LEU A 41 -1.361 6.729 9.141 1.00 52.02 H new ATOM 0 HB3 LEU A 41 -0.651 8.098 9.972 1.00 52.02 H new ATOM 0 HG LEU A 41 -1.872 5.655 11.292 1.00 0.05 H new ATOM 0 HD11 LEU A 41 0.443 5.167 11.976 1.00 51.22 H new ATOM 0 HD12 LEU A 41 0.266 5.185 10.206 1.00 51.22 H new ATOM 0 HD13 LEU A 41 1.010 6.570 11.039 1.00 51.22 H new ATOM 0 HD21 LEU A 41 -0.981 6.596 13.383 1.00 62.14 H new ATOM 0 HD22 LEU A 41 -0.473 8.058 12.503 1.00 62.14 H new ATOM 0 HD23 LEU A 41 -2.202 7.661 12.646 1.00 62.14 H new ATOM 638 N LEU A 42 -3.098 8.443 7.707 1.00 31.12 N ATOM 639 CA LEU A 42 -3.207 9.253 6.499 1.00 40.14 C ATOM 640 C LEU A 42 -4.463 10.118 6.538 1.00 30.43 C ATOM 641 O LEU A 42 -4.405 11.318 6.273 1.00 55.53 O ATOM 642 CB LEU A 42 -3.214 8.361 5.254 1.00 31.13 C ATOM 643 CG LEU A 42 -1.961 7.497 5.065 1.00 51.51 C ATOM 644 CD1 LEU A 42 -2.098 6.627 3.826 1.00 60.43 C ATOM 645 CD2 LEU A 42 -0.718 8.373 4.965 1.00 60.30 C ATOM 0 H LEU A 42 -3.179 7.439 7.549 1.00 31.12 H new ATOM 0 HA LEU A 42 -2.339 9.911 6.452 1.00 40.14 H new ATOM 0 HB2 LEU A 42 -4.084 7.706 5.300 1.00 31.13 H new ATOM 0 HB3 LEU A 42 -3.337 8.993 4.374 1.00 31.13 H new ATOM 0 HG LEU A 42 -1.856 6.848 5.934 1.00 51.51 H new ATOM 0 HD11 LEU A 42 -1.200 6.020 3.706 1.00 60.43 H new ATOM 0 HD12 LEU A 42 -2.965 5.975 3.933 1.00 60.43 H new ATOM 0 HD13 LEU A 42 -2.227 7.261 2.949 1.00 60.43 H new ATOM 0 HD21 LEU A 42 0.161 7.743 4.831 1.00 60.30 H new ATOM 0 HD22 LEU A 42 -0.815 9.046 4.113 1.00 60.30 H new ATOM 0 HD23 LEU A 42 -0.610 8.957 5.879 1.00 60.30 H new ATOM 657 N ASP A 43 -5.587 9.502 6.886 1.00 54.14 N ATOM 658 CA ASP A 43 -6.858 10.211 7.004 1.00 74.32 C ATOM 659 C ASP A 43 -6.779 11.289 8.075 1.00 34.03 C ATOM 660 O ASP A 43 -7.257 12.407 7.879 1.00 54.22 O ATOM 661 CB ASP A 43 -7.998 9.242 7.341 1.00 60.12 C ATOM 662 CG ASP A 43 -8.615 8.591 6.117 1.00 32.02 C ATOM 663 OD1 ASP A 43 -7.916 7.835 5.412 1.00 35.14 O ATOM 664 OD2 ASP A 43 -9.817 8.809 5.866 1.00 65.40 O ATOM 0 H ASP A 43 -5.645 8.505 7.093 1.00 54.14 H new ATOM 0 HA ASP A 43 -7.063 10.678 6.041 1.00 74.32 H new ATOM 0 HB2 ASP A 43 -7.620 8.465 8.006 1.00 60.12 H new ATOM 0 HB3 ASP A 43 -8.773 9.780 7.887 1.00 60.12 H new ATOM 669 N GLY A 44 -6.152 10.952 9.200 1.00 5.55 N ATOM 670 CA GLY A 44 -6.049 11.880 10.311 1.00 71.45 C ATOM 671 C GLY A 44 -5.175 13.077 9.999 1.00 20.31 C ATOM 672 O GLY A 44 -5.448 14.188 10.447 1.00 30.25 O ATOM 0 H GLY A 44 -5.711 10.046 9.361 1.00 5.55 H new ATOM 0 HA2 GLY A 44 -7.046 12.226 10.583 1.00 71.45 H new ATOM 0 HA3 GLY A 44 -5.645 11.358 11.178 1.00 71.45 H new ATOM 676 N ALA A 45 -4.122 12.854 9.226 1.00 64.01 N ATOM 677 CA ALA A 45 -3.214 13.928 8.850 1.00 13.52 C ATOM 678 C ALA A 45 -3.704 14.648 7.598 1.00 45.02 C ATOM 679 O ALA A 45 -3.064 15.591 7.124 1.00 72.52 O ATOM 680 CB ALA A 45 -1.810 13.382 8.637 1.00 24.30 C ATOM 0 H ALA A 45 -3.875 11.940 8.847 1.00 64.01 H new ATOM 0 HA ALA A 45 -3.188 14.652 9.664 1.00 13.52 H new ATOM 0 HB1 ALA A 45 -1.142 14.196 8.356 1.00 24.30 H new ATOM 0 HB2 ALA A 45 -1.455 12.922 9.559 1.00 24.30 H new ATOM 0 HB3 ALA A 45 -1.826 12.636 7.843 1.00 24.30 H new ATOM 686 N ASP A 46 -4.846 14.189 7.072 1.00 34.42 N ATOM 687 CA ASP A 46 -5.453 14.756 5.866 1.00 43.22 C ATOM 688 C ASP A 46 -4.505 14.604 4.675 1.00 3.43 C ATOM 689 O ASP A 46 -4.428 15.459 3.786 1.00 65.44 O ATOM 690 CB ASP A 46 -5.832 16.226 6.091 1.00 64.12 C ATOM 691 CG ASP A 46 -6.748 16.767 5.011 1.00 33.44 C ATOM 692 OD1 ASP A 46 -7.880 16.263 4.874 1.00 30.50 O ATOM 693 OD2 ASP A 46 -6.346 17.712 4.300 1.00 15.14 O ATOM 0 H ASP A 46 -5.374 13.414 7.472 1.00 34.42 H new ATOM 0 HA ASP A 46 -6.368 14.208 5.643 1.00 43.22 H new ATOM 0 HB2 ASP A 46 -6.321 16.326 7.060 1.00 64.12 H new ATOM 0 HB3 ASP A 46 -4.925 16.829 6.128 1.00 64.12 H new ATOM 698 N ILE A 47 -3.791 13.490 4.663 1.00 43.44 N ATOM 699 CA ILE A 47 -2.856 13.175 3.598 1.00 53.04 C ATOM 700 C ILE A 47 -3.560 12.424 2.471 1.00 61.53 C ATOM 701 O ILE A 47 -4.124 11.351 2.695 1.00 74.03 O ATOM 702 CB ILE A 47 -1.677 12.321 4.125 1.00 1.33 C ATOM 703 CG1 ILE A 47 -0.840 13.131 5.118 1.00 64.43 C ATOM 704 CG2 ILE A 47 -0.812 11.817 2.976 1.00 33.32 C ATOM 705 CD1 ILE A 47 0.333 12.364 5.693 1.00 15.11 C ATOM 0 H ILE A 47 -3.844 12.779 5.392 1.00 43.44 H new ATOM 0 HA ILE A 47 -2.464 14.117 3.215 1.00 53.04 H new ATOM 0 HB ILE A 47 -2.086 11.452 4.641 1.00 1.33 H new ATOM 0 HG12 ILE A 47 -0.468 14.027 4.621 1.00 64.43 H new ATOM 0 HG13 ILE A 47 -1.481 13.463 5.935 1.00 64.43 H new ATOM 0 HG21 ILE A 47 0.009 11.220 3.373 1.00 33.32 H new ATOM 0 HG22 ILE A 47 -1.416 11.204 2.307 1.00 33.32 H new ATOM 0 HG23 ILE A 47 -0.409 12.666 2.424 1.00 33.32 H new ATOM 0 HD11 ILE A 47 0.879 13.002 6.388 1.00 15.11 H new ATOM 0 HD12 ILE A 47 -0.032 11.482 6.220 1.00 15.11 H new ATOM 0 HD13 ILE A 47 0.997 12.055 4.885 1.00 15.11 H new ATOM 717 N GLY A 48 -3.546 13.005 1.273 1.00 52.32 N ATOM 718 CA GLY A 48 -4.105 12.340 0.109 1.00 11.44 C ATOM 719 C GLY A 48 -3.475 10.979 -0.110 1.00 53.30 C ATOM 720 O GLY A 48 -2.257 10.826 0.005 1.00 61.23 O ATOM 0 H GLY A 48 -3.155 13.929 1.088 1.00 52.32 H new ATOM 0 HA2 GLY A 48 -5.182 12.227 0.235 1.00 11.44 H new ATOM 0 HA3 GLY A 48 -3.951 12.960 -0.774 1.00 11.44 H new ATOM 724 N HIS A 49 -4.300 9.992 -0.427 1.00 25.53 N ATOM 725 CA HIS A 49 -3.839 8.613 -0.487 1.00 51.23 C ATOM 726 C HIS A 49 -4.667 7.785 -1.460 1.00 13.11 C ATOM 727 O HIS A 49 -5.892 7.903 -1.514 1.00 73.54 O ATOM 728 CB HIS A 49 -3.869 7.973 0.912 1.00 14.31 C ATOM 729 CG HIS A 49 -5.201 8.066 1.606 1.00 10.22 C ATOM 730 ND1 HIS A 49 -5.606 9.182 2.305 1.00 41.04 N ATOM 731 CD2 HIS A 49 -6.217 7.176 1.705 1.00 41.30 C ATOM 732 CE1 HIS A 49 -6.808 8.978 2.804 1.00 73.21 C ATOM 733 NE2 HIS A 49 -7.206 7.767 2.455 1.00 51.52 N ATOM 0 H HIS A 49 -5.288 10.119 -0.646 1.00 25.53 H new ATOM 0 HA HIS A 49 -2.811 8.627 -0.850 1.00 51.23 H new ATOM 0 HB2 HIS A 49 -3.590 6.923 0.825 1.00 14.31 H new ATOM 0 HB3 HIS A 49 -3.114 8.452 1.535 1.00 14.31 H new ATOM 0 HD1 HIS A 49 -5.059 10.035 2.419 1.00 41.04 H new ATOM 0 HD2 HIS A 49 -6.245 6.186 1.275 1.00 41.30 H new ATOM 0 HE1 HIS A 49 -7.373 9.681 3.398 1.00 73.21 H new ATOM 742 N LEU A 50 -3.983 6.948 -2.220 1.00 4.51 N ATOM 743 CA LEU A 50 -4.625 6.050 -3.161 1.00 1.52 C ATOM 744 C LEU A 50 -4.148 4.624 -2.898 1.00 23.13 C ATOM 745 O LEU A 50 -3.011 4.268 -3.217 1.00 11.42 O ATOM 746 CB LEU A 50 -4.310 6.484 -4.604 1.00 20.43 C ATOM 747 CG LEU A 50 -5.139 5.816 -5.714 1.00 34.55 C ATOM 748 CD1 LEU A 50 -5.129 6.684 -6.963 1.00 14.22 C ATOM 749 CD2 LEU A 50 -4.599 4.431 -6.053 1.00 20.43 C ATOM 0 H LEU A 50 -2.966 6.872 -2.201 1.00 4.51 H new ATOM 0 HA LEU A 50 -5.706 6.087 -3.030 1.00 1.52 H new ATOM 0 HB2 LEU A 50 -4.450 7.563 -4.675 1.00 20.43 H new ATOM 0 HB3 LEU A 50 -3.256 6.286 -4.798 1.00 20.43 H new ATOM 0 HG LEU A 50 -6.160 5.706 -5.349 1.00 34.55 H new ATOM 0 HD11 LEU A 50 -5.718 6.204 -7.744 1.00 14.22 H new ATOM 0 HD12 LEU A 50 -5.558 7.659 -6.732 1.00 14.22 H new ATOM 0 HD13 LEU A 50 -4.103 6.812 -7.309 1.00 14.22 H new ATOM 0 HD21 LEU A 50 -5.207 3.986 -6.841 1.00 20.43 H new ATOM 0 HD22 LEU A 50 -3.568 4.516 -6.395 1.00 20.43 H new ATOM 0 HD23 LEU A 50 -4.636 3.799 -5.166 1.00 20.43 H new ATOM 761 N VAL A 51 -4.999 3.827 -2.270 1.00 35.33 N ATOM 762 CA VAL A 51 -4.677 2.436 -2.004 1.00 32.40 C ATOM 763 C VAL A 51 -4.930 1.599 -3.251 1.00 25.50 C ATOM 764 O VAL A 51 -6.061 1.520 -3.741 1.00 45.55 O ATOM 765 CB VAL A 51 -5.503 1.872 -0.827 1.00 61.22 C ATOM 766 CG1 VAL A 51 -5.130 0.427 -0.549 1.00 63.14 C ATOM 767 CG2 VAL A 51 -5.309 2.721 0.416 1.00 24.43 C ATOM 0 H VAL A 51 -5.917 4.121 -1.936 1.00 35.33 H new ATOM 0 HA VAL A 51 -3.623 2.387 -1.730 1.00 32.40 H new ATOM 0 HB VAL A 51 -6.556 1.904 -1.105 1.00 61.22 H new ATOM 0 HG11 VAL A 51 -5.725 0.051 0.284 1.00 63.14 H new ATOM 0 HG12 VAL A 51 -5.325 -0.176 -1.436 1.00 63.14 H new ATOM 0 HG13 VAL A 51 -4.072 0.367 -0.295 1.00 63.14 H new ATOM 0 HG21 VAL A 51 -5.899 2.308 1.234 1.00 24.43 H new ATOM 0 HG22 VAL A 51 -4.255 2.724 0.694 1.00 24.43 H new ATOM 0 HG23 VAL A 51 -5.634 3.742 0.214 1.00 24.43 H new ATOM 777 N LEU A 52 -3.874 0.993 -3.769 1.00 22.52 N ATOM 778 CA LEU A 52 -3.970 0.210 -4.987 1.00 71.55 C ATOM 779 C LEU A 52 -4.217 -1.257 -4.653 1.00 33.01 C ATOM 780 O LEU A 52 -3.303 -1.985 -4.260 1.00 3.42 O ATOM 781 CB LEU A 52 -2.693 0.381 -5.833 1.00 62.33 C ATOM 782 CG LEU A 52 -2.802 -0.014 -7.315 1.00 3.24 C ATOM 783 CD1 LEU A 52 -1.644 0.580 -8.102 1.00 3.02 C ATOM 784 CD2 LEU A 52 -2.814 -1.529 -7.486 1.00 2.42 C ATOM 0 H LEU A 52 -2.939 1.029 -3.363 1.00 22.52 H new ATOM 0 HA LEU A 52 -4.815 0.569 -5.575 1.00 71.55 H new ATOM 0 HB2 LEU A 52 -2.383 1.425 -5.779 1.00 62.33 H new ATOM 0 HB3 LEU A 52 -1.899 -0.211 -5.378 1.00 62.33 H new ATOM 0 HG LEU A 52 -3.743 0.381 -7.697 1.00 3.24 H new ATOM 0 HD11 LEU A 52 -1.732 0.294 -9.150 1.00 3.02 H new ATOM 0 HD12 LEU A 52 -1.667 1.667 -8.019 1.00 3.02 H new ATOM 0 HD13 LEU A 52 -0.702 0.206 -7.701 1.00 3.02 H new ATOM 0 HD21 LEU A 52 -2.892 -1.775 -8.545 1.00 2.42 H new ATOM 0 HD22 LEU A 52 -1.892 -1.948 -7.083 1.00 2.42 H new ATOM 0 HD23 LEU A 52 -3.667 -1.949 -6.952 1.00 2.42 H new ATOM 796 N ASP A 53 -5.468 -1.663 -4.774 1.00 35.11 N ATOM 797 CA ASP A 53 -5.846 -3.063 -4.676 1.00 21.34 C ATOM 798 C ASP A 53 -6.665 -3.428 -5.901 1.00 24.42 C ATOM 799 O ASP A 53 -7.164 -2.545 -6.597 1.00 63.12 O ATOM 800 CB ASP A 53 -6.643 -3.348 -3.398 1.00 72.01 C ATOM 801 CG ASP A 53 -7.972 -2.617 -3.342 1.00 4.24 C ATOM 802 OD1 ASP A 53 -8.952 -3.086 -3.963 1.00 22.44 O ATOM 803 OD2 ASP A 53 -8.053 -1.575 -2.662 1.00 41.12 O ATOM 0 H ASP A 53 -6.251 -1.032 -4.943 1.00 35.11 H new ATOM 0 HA ASP A 53 -4.942 -3.670 -4.630 1.00 21.34 H new ATOM 0 HB2 ASP A 53 -6.823 -4.420 -3.322 1.00 72.01 H new ATOM 0 HB3 ASP A 53 -6.043 -3.063 -2.533 1.00 72.01 H new ATOM 808 N GLN A 54 -6.798 -4.712 -6.173 1.00 54.01 N ATOM 809 CA GLN A 54 -7.511 -5.157 -7.357 1.00 50.35 C ATOM 810 C GLN A 54 -8.703 -6.018 -6.966 1.00 23.23 C ATOM 811 O GLN A 54 -8.565 -7.213 -6.709 1.00 53.34 O ATOM 812 CB GLN A 54 -6.564 -5.928 -8.279 1.00 45.24 C ATOM 813 CG GLN A 54 -7.135 -6.207 -9.659 1.00 11.21 C ATOM 814 CD GLN A 54 -6.121 -6.856 -10.581 1.00 13.13 C ATOM 815 OE1 GLN A 54 -5.365 -6.170 -11.268 1.00 73.01 O ATOM 816 NE2 GLN A 54 -6.105 -8.179 -10.619 1.00 0.13 N ATOM 0 H GLN A 54 -6.424 -5.463 -5.593 1.00 54.01 H new ATOM 0 HA GLN A 54 -7.884 -4.285 -7.894 1.00 50.35 H new ATOM 0 HB2 GLN A 54 -5.639 -5.362 -8.388 1.00 45.24 H new ATOM 0 HB3 GLN A 54 -6.305 -6.875 -7.806 1.00 45.24 H new ATOM 0 HG2 GLN A 54 -8.005 -6.856 -9.565 1.00 11.21 H new ATOM 0 HG3 GLN A 54 -7.481 -5.273 -10.102 1.00 11.21 H new ATOM 0 HE21 GLN A 54 -6.747 -8.714 -10.034 1.00 0.13 H new ATOM 0 HE22 GLN A 54 -5.450 -8.664 -11.233 1.00 0.13 H new ATOM 825 N ASN A 55 -9.870 -5.397 -6.894 1.00 22.34 N ATOM 826 CA ASN A 55 -11.087 -6.109 -6.541 1.00 30.52 C ATOM 827 C ASN A 55 -11.739 -6.670 -7.798 1.00 15.14 C ATOM 828 O ASN A 55 -12.437 -5.960 -8.524 1.00 3.10 O ATOM 829 CB ASN A 55 -12.058 -5.187 -5.793 1.00 60.34 C ATOM 830 CG ASN A 55 -13.285 -5.916 -5.271 1.00 4.53 C ATOM 831 OD1 ASN A 55 -13.269 -6.472 -4.172 1.00 14.22 O ATOM 832 ND2 ASN A 55 -14.361 -5.903 -6.042 1.00 0.32 N ATOM 0 H ASN A 55 -10.000 -4.402 -7.075 1.00 22.34 H new ATOM 0 HA ASN A 55 -10.831 -6.935 -5.877 1.00 30.52 H new ATOM 0 HB2 ASN A 55 -11.536 -4.720 -4.957 1.00 60.34 H new ATOM 0 HB3 ASN A 55 -12.375 -4.385 -6.459 1.00 60.34 H new ATOM 0 HD21 ASN A 55 -15.216 -6.364 -5.732 1.00 0.32 H new ATOM 0 HD22 ASN A 55 -14.335 -5.432 -6.946 1.00 0.32 H new ATOM 839 N MET A 56 -11.474 -7.936 -8.068 1.00 12.31 N ATOM 840 CA MET A 56 -12.001 -8.603 -9.253 1.00 10.10 C ATOM 841 C MET A 56 -13.332 -9.267 -8.941 1.00 54.02 C ATOM 842 O MET A 56 -13.912 -9.038 -7.877 1.00 53.23 O ATOM 843 CB MET A 56 -11.004 -9.652 -9.750 1.00 24.44 C ATOM 844 CG MET A 56 -9.669 -9.070 -10.172 1.00 32.44 C ATOM 845 SD MET A 56 -8.427 -10.337 -10.499 1.00 34.33 S ATOM 846 CE MET A 56 -9.197 -11.245 -11.837 1.00 42.13 C ATOM 0 H MET A 56 -10.892 -8.530 -7.478 1.00 12.31 H new ATOM 0 HA MET A 56 -12.155 -7.856 -10.032 1.00 10.10 H new ATOM 0 HB2 MET A 56 -10.838 -10.385 -8.961 1.00 24.44 H new ATOM 0 HB3 MET A 56 -11.441 -10.185 -10.594 1.00 24.44 H new ATOM 0 HG2 MET A 56 -9.808 -8.464 -11.068 1.00 32.44 H new ATOM 0 HG3 MET A 56 -9.305 -8.404 -9.390 1.00 32.44 H new ATOM 0 HE1 MET A 56 -8.463 -11.906 -12.298 1.00 42.13 H new ATOM 0 HE2 MET A 56 -10.024 -11.838 -11.446 1.00 42.13 H new ATOM 0 HE3 MET A 56 -9.574 -10.545 -12.582 1.00 42.13 H new ATOM 856 N SER A 57 -13.820 -10.080 -9.872 1.00 62.24 N ATOM 857 CA SER A 57 -15.020 -10.872 -9.640 1.00 52.53 C ATOM 858 C SER A 57 -14.792 -11.826 -8.466 1.00 64.35 C ATOM 859 O SER A 57 -13.646 -12.161 -8.156 1.00 71.33 O ATOM 860 CB SER A 57 -15.381 -11.654 -10.905 1.00 0.25 C ATOM 861 OG SER A 57 -15.580 -10.775 -12.001 1.00 71.03 O ATOM 0 H SER A 57 -13.402 -10.207 -10.794 1.00 62.24 H new ATOM 0 HA SER A 57 -15.849 -10.208 -9.394 1.00 52.53 H new ATOM 0 HB2 SER A 57 -14.586 -12.361 -11.140 1.00 0.25 H new ATOM 0 HB3 SER A 57 -16.285 -12.237 -10.732 1.00 0.25 H new ATOM 0 HG SER A 57 -15.808 -11.295 -12.800 1.00 71.03 H new ATOM 867 N ILE A 58 -15.868 -12.256 -7.815 1.00 60.24 N ATOM 868 CA ILE A 58 -15.748 -13.082 -6.617 1.00 64.32 C ATOM 869 C ILE A 58 -15.011 -14.391 -6.916 1.00 12.20 C ATOM 870 O ILE A 58 -15.478 -15.228 -7.691 1.00 23.23 O ATOM 871 CB ILE A 58 -17.125 -13.376 -5.969 1.00 22.42 C ATOM 872 CG1 ILE A 58 -16.960 -14.250 -4.722 1.00 15.40 C ATOM 873 CG2 ILE A 58 -18.083 -14.030 -6.957 1.00 0.43 C ATOM 874 CD1 ILE A 58 -16.146 -13.594 -3.628 1.00 43.11 C ATOM 0 H ILE A 58 -16.827 -12.049 -8.094 1.00 60.24 H new ATOM 0 HA ILE A 58 -15.161 -12.508 -5.900 1.00 64.32 H new ATOM 0 HB ILE A 58 -17.558 -12.421 -5.672 1.00 22.42 H new ATOM 0 HG12 ILE A 58 -17.946 -14.500 -4.330 1.00 15.40 H new ATOM 0 HG13 ILE A 58 -16.483 -15.188 -5.006 1.00 15.40 H new ATOM 0 HG21 ILE A 58 -19.037 -14.221 -6.466 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -18.238 -13.366 -7.807 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -17.659 -14.972 -7.305 1.00 0.43 H new ATOM 0 HD11 ILE A 58 -16.070 -14.270 -2.776 1.00 43.11 H new ATOM 0 HD12 ILE A 58 -15.147 -13.369 -4.003 1.00 43.11 H new ATOM 0 HD13 ILE A 58 -16.633 -12.670 -3.316 1.00 43.11 H new ATOM 886 N LEU A 59 -13.839 -14.536 -6.315 1.00 31.00 N ATOM 887 CA LEU A 59 -13.016 -15.720 -6.486 1.00 42.15 C ATOM 888 C LEU A 59 -12.173 -15.923 -5.234 1.00 0.42 C ATOM 889 O LEU A 59 -11.918 -14.968 -4.495 1.00 4.11 O ATOM 890 CB LEU A 59 -12.116 -15.561 -7.719 1.00 31.40 C ATOM 891 CG LEU A 59 -11.258 -16.776 -8.083 1.00 10.21 C ATOM 892 CD1 LEU A 59 -12.133 -17.963 -8.447 1.00 51.45 C ATOM 893 CD2 LEU A 59 -10.326 -16.432 -9.234 1.00 1.44 C ATOM 0 H LEU A 59 -13.433 -13.835 -5.695 1.00 31.00 H new ATOM 0 HA LEU A 59 -13.652 -16.592 -6.637 1.00 42.15 H new ATOM 0 HB2 LEU A 59 -12.745 -15.316 -8.575 1.00 31.40 H new ATOM 0 HB3 LEU A 59 -11.455 -14.710 -7.555 1.00 31.40 H new ATOM 0 HG LEU A 59 -10.659 -17.049 -7.214 1.00 10.21 H new ATOM 0 HD11 LEU A 59 -11.503 -18.815 -8.702 1.00 51.45 H new ATOM 0 HD12 LEU A 59 -12.767 -18.222 -7.599 1.00 51.45 H new ATOM 0 HD13 LEU A 59 -12.758 -17.705 -9.302 1.00 51.45 H new ATOM 0 HD21 LEU A 59 -9.721 -17.303 -9.485 1.00 1.44 H new ATOM 0 HD22 LEU A 59 -10.914 -16.137 -10.103 1.00 1.44 H new ATOM 0 HD23 LEU A 59 -9.674 -15.609 -8.941 1.00 1.44 H new ATOM 905 N GLU A 60 -11.767 -17.159 -4.984 1.00 55.12 N ATOM 906 CA GLU A 60 -10.951 -17.475 -3.820 1.00 13.30 C ATOM 907 C GLU A 60 -9.565 -16.840 -3.933 1.00 71.13 C ATOM 908 O GLU A 60 -8.872 -16.996 -4.944 1.00 53.42 O ATOM 909 CB GLU A 60 -10.833 -18.994 -3.651 1.00 44.02 C ATOM 910 CG GLU A 60 -10.277 -19.705 -4.873 1.00 15.32 C ATOM 911 CD GLU A 60 -10.178 -21.199 -4.678 1.00 51.05 C ATOM 912 OE1 GLU A 60 -9.195 -21.657 -4.069 1.00 64.24 O ATOM 913 OE2 GLU A 60 -11.085 -21.919 -5.145 1.00 72.41 O ATOM 0 H GLU A 60 -11.990 -17.962 -5.573 1.00 55.12 H new ATOM 0 HA GLU A 60 -11.440 -17.061 -2.938 1.00 13.30 H new ATOM 0 HB2 GLU A 60 -10.192 -19.206 -2.795 1.00 44.02 H new ATOM 0 HB3 GLU A 60 -11.817 -19.402 -3.421 1.00 44.02 H new ATOM 0 HG2 GLU A 60 -10.914 -19.496 -5.732 1.00 15.32 H new ATOM 0 HG3 GLU A 60 -9.289 -19.306 -5.104 1.00 15.32 H new ATOM 920 N GLY A 61 -9.180 -16.097 -2.907 1.00 64.45 N ATOM 921 CA GLY A 61 -7.875 -15.476 -2.891 1.00 10.11 C ATOM 922 C GLY A 61 -7.958 -13.964 -2.955 1.00 2.25 C ATOM 923 O GLY A 61 -8.149 -13.395 -4.027 1.00 74.31 O ATOM 0 H GLY A 61 -9.752 -15.913 -2.082 1.00 64.45 H new ATOM 0 HA2 GLY A 61 -7.346 -15.771 -1.985 1.00 10.11 H new ATOM 0 HA3 GLY A 61 -7.290 -15.842 -3.735 1.00 10.11 H new ATOM 927 N SER A 62 -7.819 -13.322 -1.805 1.00 43.23 N ATOM 928 CA SER A 62 -7.874 -11.869 -1.726 1.00 23.20 C ATOM 929 C SER A 62 -6.674 -11.332 -0.952 1.00 43.02 C ATOM 930 O SER A 62 -6.002 -10.397 -1.395 1.00 33.31 O ATOM 931 CB SER A 62 -9.182 -11.430 -1.054 1.00 62.12 C ATOM 932 OG SER A 62 -9.278 -10.017 -0.959 1.00 72.44 O ATOM 0 H SER A 62 -7.667 -13.786 -0.910 1.00 43.23 H new ATOM 0 HA SER A 62 -7.842 -11.461 -2.736 1.00 23.20 H new ATOM 0 HB2 SER A 62 -10.029 -11.814 -1.622 1.00 62.12 H new ATOM 0 HB3 SER A 62 -9.242 -11.866 -0.057 1.00 62.12 H new ATOM 0 HG SER A 62 -10.124 -9.775 -0.528 1.00 72.44 H new ATOM 938 N LEU A 63 -6.393 -11.941 0.192 1.00 24.41 N ATOM 939 CA LEU A 63 -5.294 -11.501 1.037 1.00 32.44 C ATOM 940 C LEU A 63 -4.004 -12.176 0.588 1.00 21.23 C ATOM 941 O LEU A 63 -3.947 -13.401 0.469 1.00 23.45 O ATOM 942 CB LEU A 63 -5.581 -11.833 2.504 1.00 75.42 C ATOM 943 CG LEU A 63 -4.633 -11.184 3.513 1.00 42.22 C ATOM 944 CD1 LEU A 63 -4.809 -9.673 3.513 1.00 13.54 C ATOM 945 CD2 LEU A 63 -4.867 -11.752 4.901 1.00 24.40 C ATOM 0 H LEU A 63 -6.911 -12.741 0.555 1.00 24.41 H new ATOM 0 HA LEU A 63 -5.186 -10.420 0.944 1.00 32.44 H new ATOM 0 HB2 LEU A 63 -6.601 -11.526 2.737 1.00 75.42 H new ATOM 0 HB3 LEU A 63 -5.537 -12.915 2.631 1.00 75.42 H new ATOM 0 HG LEU A 63 -3.607 -11.408 3.220 1.00 42.22 H new ATOM 0 HD11 LEU A 63 -4.127 -9.227 4.237 1.00 13.54 H new ATOM 0 HD12 LEU A 63 -4.591 -9.281 2.520 1.00 13.54 H new ATOM 0 HD13 LEU A 63 -5.836 -9.426 3.783 1.00 13.54 H new ATOM 0 HD21 LEU A 63 -4.184 -11.280 5.607 1.00 24.40 H new ATOM 0 HD22 LEU A 63 -5.896 -11.558 5.205 1.00 24.40 H new ATOM 0 HD23 LEU A 63 -4.689 -12.827 4.889 1.00 24.40 H new ATOM 957 N GLY A 64 -2.982 -11.376 0.314 1.00 30.23 N ATOM 958 CA GLY A 64 -1.729 -11.911 -0.190 1.00 34.51 C ATOM 959 C GLY A 64 -1.764 -12.114 -1.693 1.00 71.51 C ATOM 960 O GLY A 64 -0.826 -11.742 -2.401 1.00 14.54 O ATOM 0 H GLY A 64 -2.997 -10.363 0.432 1.00 30.23 H new ATOM 0 HA2 GLY A 64 -0.915 -11.232 0.066 1.00 34.51 H new ATOM 0 HA3 GLY A 64 -1.517 -12.861 0.300 1.00 34.51 H new ATOM 964 N VAL A 65 -2.859 -12.699 -2.177 1.00 30.44 N ATOM 965 CA VAL A 65 -3.051 -12.938 -3.604 1.00 25.23 C ATOM 966 C VAL A 65 -3.082 -11.621 -4.377 1.00 32.34 C ATOM 967 O VAL A 65 -2.581 -11.528 -5.502 1.00 62.21 O ATOM 968 CB VAL A 65 -4.348 -13.736 -3.867 1.00 63.24 C ATOM 969 CG1 VAL A 65 -4.530 -14.019 -5.349 1.00 62.02 C ATOM 970 CG2 VAL A 65 -4.333 -15.034 -3.075 1.00 34.45 C ATOM 0 H VAL A 65 -3.633 -13.018 -1.594 1.00 30.44 H new ATOM 0 HA VAL A 65 -2.205 -13.530 -3.954 1.00 25.23 H new ATOM 0 HB VAL A 65 -5.192 -13.130 -3.538 1.00 63.24 H new ATOM 0 HG11 VAL A 65 -5.451 -14.582 -5.502 1.00 62.02 H new ATOM 0 HG12 VAL A 65 -4.585 -13.077 -5.895 1.00 62.02 H new ATOM 0 HG13 VAL A 65 -3.684 -14.601 -5.715 1.00 62.02 H new ATOM 0 HG21 VAL A 65 -5.251 -15.588 -3.268 1.00 34.45 H new ATOM 0 HG22 VAL A 65 -3.476 -15.635 -3.378 1.00 34.45 H new ATOM 0 HG23 VAL A 65 -4.261 -14.810 -2.011 1.00 34.45 H new ATOM 980 N ILE A 66 -3.659 -10.606 -3.760 1.00 34.54 N ATOM 981 CA ILE A 66 -3.639 -9.260 -4.314 1.00 25.13 C ATOM 982 C ILE A 66 -2.773 -8.361 -3.437 1.00 54.41 C ATOM 983 O ILE A 66 -3.130 -8.067 -2.294 1.00 1.31 O ATOM 984 CB ILE A 66 -5.056 -8.642 -4.446 1.00 35.23 C ATOM 985 CG1 ILE A 66 -5.898 -9.383 -5.494 1.00 51.23 C ATOM 986 CG2 ILE A 66 -4.961 -7.166 -4.813 1.00 15.20 C ATOM 987 CD1 ILE A 66 -6.454 -10.709 -5.029 1.00 34.20 C ATOM 0 H ILE A 66 -4.150 -10.687 -2.870 1.00 34.54 H new ATOM 0 HA ILE A 66 -3.224 -9.333 -5.319 1.00 25.13 H new ATOM 0 HB ILE A 66 -5.549 -8.743 -3.479 1.00 35.23 H new ATOM 0 HG12 ILE A 66 -6.726 -8.742 -5.795 1.00 51.23 H new ATOM 0 HG13 ILE A 66 -5.286 -9.551 -6.380 1.00 51.23 H new ATOM 0 HG21 ILE A 66 -5.964 -6.748 -4.902 1.00 15.20 H new ATOM 0 HG22 ILE A 66 -4.413 -6.633 -4.036 1.00 15.20 H new ATOM 0 HG23 ILE A 66 -4.438 -7.060 -5.764 1.00 15.20 H new ATOM 0 HD11 ILE A 66 -7.035 -11.162 -5.833 1.00 34.20 H new ATOM 0 HD12 ILE A 66 -5.633 -11.372 -4.756 1.00 34.20 H new ATOM 0 HD13 ILE A 66 -7.096 -10.551 -4.162 1.00 34.20 H new ATOM 999 N PRO A 67 -1.615 -7.934 -3.955 1.00 21.52 N ATOM 1000 CA PRO A 67 -0.700 -7.059 -3.221 1.00 73.45 C ATOM 1001 C PRO A 67 -1.312 -5.687 -2.954 1.00 32.41 C ATOM 1002 O PRO A 67 -1.874 -5.061 -3.852 1.00 53.21 O ATOM 1003 CB PRO A 67 0.515 -6.935 -4.146 1.00 4.11 C ATOM 1004 CG PRO A 67 0.005 -7.278 -5.506 1.00 5.21 C ATOM 1005 CD PRO A 67 -1.103 -8.273 -5.295 1.00 43.25 C ATOM 0 HA PRO A 67 -0.454 -7.462 -2.239 1.00 73.45 H new ATOM 0 HB2 PRO A 67 0.927 -5.926 -4.122 1.00 4.11 H new ATOM 0 HB3 PRO A 67 1.313 -7.612 -3.842 1.00 4.11 H new ATOM 0 HG2 PRO A 67 -0.361 -6.390 -6.021 1.00 5.21 H new ATOM 0 HG3 PRO A 67 0.797 -7.701 -6.124 1.00 5.21 H new ATOM 0 HD2 PRO A 67 -1.877 -8.180 -6.057 1.00 43.25 H new ATOM 0 HD3 PRO A 67 -0.736 -9.298 -5.337 1.00 43.25 H new ATOM 1013 N ARG A 68 -1.201 -5.228 -1.716 1.00 20.44 N ATOM 1014 CA ARG A 68 -1.763 -3.946 -1.323 1.00 40.10 C ATOM 1015 C ARG A 68 -0.661 -2.899 -1.252 1.00 75.52 C ATOM 1016 O ARG A 68 0.225 -2.992 -0.407 1.00 65.31 O ATOM 1017 CB ARG A 68 -2.436 -4.041 0.051 1.00 45.05 C ATOM 1018 CG ARG A 68 -3.456 -5.164 0.190 1.00 20.23 C ATOM 1019 CD ARG A 68 -4.592 -5.038 -0.813 1.00 2.13 C ATOM 1020 NE ARG A 68 -5.848 -5.567 -0.282 1.00 32.34 N ATOM 1021 CZ ARG A 68 -6.317 -6.793 -0.514 1.00 62.31 C ATOM 1022 NH1 ARG A 68 -5.613 -7.664 -1.234 1.00 41.34 N ATOM 1023 NH2 ARG A 68 -7.490 -7.150 -0.006 1.00 13.40 N ATOM 0 H ARG A 68 -0.725 -5.727 -0.965 1.00 20.44 H new ATOM 0 HA ARG A 68 -2.507 -3.663 -2.068 1.00 40.10 H new ATOM 0 HB2 ARG A 68 -1.664 -4.175 0.809 1.00 45.05 H new ATOM 0 HB3 ARG A 68 -2.930 -3.093 0.264 1.00 45.05 H new ATOM 0 HG2 ARG A 68 -2.958 -6.124 0.053 1.00 20.23 H new ATOM 0 HG3 ARG A 68 -3.864 -5.158 1.201 1.00 20.23 H new ATOM 0 HD2 ARG A 68 -4.724 -3.990 -1.082 1.00 2.13 H new ATOM 0 HD3 ARG A 68 -4.331 -5.572 -1.727 1.00 2.13 H new ATOM 0 HE ARG A 68 -6.407 -4.952 0.310 1.00 32.34 H new ATOM 0 HH11 ARG A 68 -4.705 -7.396 -1.614 1.00 41.34 H new ATOM 0 HH12 ARG A 68 -5.981 -8.600 -1.405 1.00 41.34 H new ATOM 0 HH21 ARG A 68 -8.025 -6.488 0.557 1.00 13.40 H new ATOM 0 HH22 ARG A 68 -7.857 -8.086 -0.178 1.00 13.40 H new ATOM 1037 N ARG A 69 -0.696 -1.916 -2.131 1.00 20.30 N ATOM 1038 CA ARG A 69 0.286 -0.845 -2.071 1.00 60.43 C ATOM 1039 C ARG A 69 -0.394 0.511 -1.991 1.00 40.52 C ATOM 1040 O ARG A 69 -1.431 0.738 -2.613 1.00 53.11 O ATOM 1041 CB ARG A 69 1.260 -0.905 -3.251 1.00 13.44 C ATOM 1042 CG ARG A 69 0.612 -1.035 -4.617 1.00 71.44 C ATOM 1043 CD ARG A 69 1.672 -1.008 -5.702 1.00 34.24 C ATOM 1044 NE ARG A 69 1.151 -1.360 -7.017 1.00 20.03 N ATOM 1045 CZ ARG A 69 1.907 -1.405 -8.115 1.00 20.11 C ATOM 1046 NH1 ARG A 69 3.187 -1.035 -8.061 1.00 61.12 N ATOM 1047 NH2 ARG A 69 1.387 -1.803 -9.270 1.00 63.24 N ATOM 0 H ARG A 69 -1.380 -1.834 -2.883 1.00 20.30 H new ATOM 0 HA ARG A 69 0.869 -0.985 -1.161 1.00 60.43 H new ATOM 0 HB2 ARG A 69 1.873 -0.004 -3.242 1.00 13.44 H new ATOM 0 HB3 ARG A 69 1.933 -1.750 -3.104 1.00 13.44 H new ATOM 0 HG2 ARG A 69 0.047 -1.965 -4.673 1.00 71.44 H new ATOM 0 HG3 ARG A 69 -0.097 -0.222 -4.770 1.00 71.44 H new ATOM 0 HD2 ARG A 69 2.113 -0.012 -5.747 1.00 34.24 H new ATOM 0 HD3 ARG A 69 2.472 -1.699 -5.438 1.00 34.24 H new ATOM 0 HE ARG A 69 0.159 -1.583 -7.102 1.00 20.03 H new ATOM 0 HH11 ARG A 69 3.589 -0.717 -7.179 1.00 61.12 H new ATOM 0 HH12 ARG A 69 3.764 -1.070 -8.901 1.00 61.12 H new ATOM 0 HH21 ARG A 69 0.405 -2.076 -9.320 1.00 63.24 H new ATOM 0 HH22 ARG A 69 1.969 -1.836 -10.107 1.00 63.24 H new ATOM 1061 N VAL A 70 0.196 1.401 -1.210 1.00 4.44 N ATOM 1062 CA VAL A 70 -0.396 2.703 -0.944 1.00 44.13 C ATOM 1063 C VAL A 70 0.384 3.802 -1.644 1.00 3.13 C ATOM 1064 O VAL A 70 1.597 3.911 -1.475 1.00 14.51 O ATOM 1065 CB VAL A 70 -0.433 3.001 0.571 1.00 21.31 C ATOM 1066 CG1 VAL A 70 -1.206 4.279 0.859 1.00 55.12 C ATOM 1067 CG2 VAL A 70 -1.033 1.831 1.335 1.00 33.25 C ATOM 0 H VAL A 70 1.091 1.244 -0.746 1.00 4.44 H new ATOM 0 HA VAL A 70 -1.416 2.678 -1.328 1.00 44.13 H new ATOM 0 HB VAL A 70 0.593 3.144 0.909 1.00 21.31 H new ATOM 0 HG11 VAL A 70 -1.216 4.464 1.933 1.00 55.12 H new ATOM 0 HG12 VAL A 70 -0.727 5.116 0.351 1.00 55.12 H new ATOM 0 HG13 VAL A 70 -2.230 4.174 0.500 1.00 55.12 H new ATOM 0 HG21 VAL A 70 -1.049 2.062 2.400 1.00 33.25 H new ATOM 0 HG22 VAL A 70 -2.050 1.652 0.987 1.00 33.25 H new ATOM 0 HG23 VAL A 70 -0.430 0.939 1.167 1.00 33.25 H new ATOM 1077 N LEU A 71 -0.310 4.599 -2.441 1.00 12.05 N ATOM 1078 CA LEU A 71 0.292 5.755 -3.082 1.00 72.03 C ATOM 1079 C LEU A 71 -0.193 7.024 -2.401 1.00 14.52 C ATOM 1080 O LEU A 71 -1.348 7.106 -1.985 1.00 41.03 O ATOM 1081 CB LEU A 71 -0.042 5.803 -4.581 1.00 3.51 C ATOM 1082 CG LEU A 71 0.691 4.782 -5.464 1.00 21.22 C ATOM 1083 CD1 LEU A 71 0.199 3.364 -5.204 1.00 52.24 C ATOM 1084 CD2 LEU A 71 0.523 5.139 -6.932 1.00 64.54 C ATOM 0 H LEU A 71 -1.297 4.464 -2.660 1.00 12.05 H new ATOM 0 HA LEU A 71 1.375 5.675 -2.984 1.00 72.03 H new ATOM 0 HB2 LEU A 71 -1.115 5.653 -4.699 1.00 3.51 H new ATOM 0 HB3 LEU A 71 0.183 6.803 -4.952 1.00 3.51 H new ATOM 0 HG LEU A 71 1.750 4.818 -5.208 1.00 21.22 H new ATOM 0 HD11 LEU A 71 0.739 2.668 -5.846 1.00 52.24 H new ATOM 0 HD12 LEU A 71 0.373 3.104 -4.160 1.00 52.24 H new ATOM 0 HD13 LEU A 71 -0.868 3.304 -5.420 1.00 52.24 H new ATOM 0 HD21 LEU A 71 1.047 4.407 -7.547 1.00 64.54 H new ATOM 0 HD22 LEU A 71 -0.536 5.136 -7.188 1.00 64.54 H new ATOM 0 HD23 LEU A 71 0.937 6.130 -7.115 1.00 64.54 H new ATOM 1096 N VAL A 72 0.686 7.999 -2.270 1.00 23.33 N ATOM 1097 CA VAL A 72 0.328 9.273 -1.660 1.00 12.22 C ATOM 1098 C VAL A 72 0.820 10.420 -2.532 1.00 42.32 C ATOM 1099 O VAL A 72 1.382 10.187 -3.602 1.00 4.04 O ATOM 1100 CB VAL A 72 0.906 9.413 -0.230 1.00 53.22 C ATOM 1101 CG1 VAL A 72 0.229 8.441 0.724 1.00 55.15 C ATOM 1102 CG2 VAL A 72 2.406 9.192 -0.230 1.00 54.25 C ATOM 0 H VAL A 72 1.657 7.936 -2.578 1.00 23.33 H new ATOM 0 HA VAL A 72 -0.759 9.308 -1.582 1.00 12.22 H new ATOM 0 HB VAL A 72 0.708 10.428 0.113 1.00 53.22 H new ATOM 0 HG11 VAL A 72 0.651 8.557 1.722 1.00 55.15 H new ATOM 0 HG12 VAL A 72 -0.841 8.648 0.756 1.00 55.15 H new ATOM 0 HG13 VAL A 72 0.391 7.420 0.378 1.00 55.15 H new ATOM 0 HG21 VAL A 72 2.789 9.295 0.785 1.00 54.25 H new ATOM 0 HG22 VAL A 72 2.626 8.191 -0.601 1.00 54.25 H new ATOM 0 HG23 VAL A 72 2.883 9.931 -0.875 1.00 54.25 H new ATOM 1112 N HIS A 73 0.597 11.652 -2.091 1.00 41.50 N ATOM 1113 CA HIS A 73 1.071 12.819 -2.833 1.00 63.14 C ATOM 1114 C HIS A 73 2.588 12.900 -2.796 1.00 35.24 C ATOM 1115 O HIS A 73 3.226 12.346 -1.905 1.00 73.12 O ATOM 1116 CB HIS A 73 0.501 14.115 -2.260 1.00 14.25 C ATOM 1117 CG HIS A 73 -0.939 14.366 -2.583 1.00 73.24 C ATOM 1118 ND1 HIS A 73 -1.822 14.902 -1.674 1.00 40.10 N ATOM 1119 CD2 HIS A 73 -1.638 14.200 -3.730 1.00 73.51 C ATOM 1120 CE1 HIS A 73 -3.000 15.057 -2.249 1.00 11.01 C ATOM 1121 NE2 HIS A 73 -2.917 14.638 -3.499 1.00 61.14 N ATOM 0 H HIS A 73 0.095 11.871 -1.230 1.00 41.50 H new ATOM 0 HA HIS A 73 0.730 12.702 -3.862 1.00 63.14 H new ATOM 0 HB2 HIS A 73 0.618 14.099 -1.176 1.00 14.25 H new ATOM 0 HB3 HIS A 73 1.093 14.951 -2.632 1.00 14.25 H new ATOM 0 HD1 HIS A 73 -1.601 15.142 -0.708 1.00 40.10 H new ATOM 0 HD2 HIS A 73 -1.258 13.797 -4.657 1.00 73.51 H new ATOM 0 HE1 HIS A 73 -3.884 15.459 -1.776 1.00 11.01 H new ATOM 1130 N GLU A 74 3.157 13.606 -3.759 1.00 50.33 N ATOM 1131 CA GLU A 74 4.589 13.862 -3.774 1.00 3.03 C ATOM 1132 C GLU A 74 4.945 14.775 -2.617 1.00 32.53 C ATOM 1133 O GLU A 74 5.970 14.605 -1.956 1.00 53.31 O ATOM 1134 CB GLU A 74 5.024 14.502 -5.104 1.00 73.03 C ATOM 1135 CG GLU A 74 4.458 15.900 -5.375 1.00 22.32 C ATOM 1136 CD GLU A 74 2.948 15.922 -5.530 1.00 40.41 C ATOM 1137 OE1 GLU A 74 2.245 16.057 -4.502 1.00 44.12 O ATOM 1138 OE2 GLU A 74 2.460 15.792 -6.671 1.00 23.05 O ATOM 0 H GLU A 74 2.648 14.014 -4.543 1.00 50.33 H new ATOM 0 HA GLU A 74 5.115 12.913 -3.671 1.00 3.03 H new ATOM 0 HB2 GLU A 74 6.112 14.559 -5.122 1.00 73.03 H new ATOM 0 HB3 GLU A 74 4.726 13.843 -5.920 1.00 73.03 H new ATOM 0 HG2 GLU A 74 4.741 16.563 -4.557 1.00 22.32 H new ATOM 0 HG3 GLU A 74 4.914 16.299 -6.281 1.00 22.32 H new ATOM 1145 N ASP A 75 4.068 15.731 -2.371 1.00 42.12 N ATOM 1146 CA ASP A 75 4.276 16.692 -1.316 1.00 72.51 C ATOM 1147 C ASP A 75 4.058 16.053 0.051 1.00 73.12 C ATOM 1148 O ASP A 75 4.802 16.308 0.997 1.00 64.04 O ATOM 1149 CB ASP A 75 3.342 17.889 -1.498 1.00 1.11 C ATOM 1150 CG ASP A 75 3.402 18.853 -0.331 1.00 12.11 C ATOM 1151 OD1 ASP A 75 4.291 19.730 -0.321 1.00 15.54 O ATOM 1152 OD2 ASP A 75 2.556 18.742 0.582 1.00 13.41 O ATOM 0 H ASP A 75 3.201 15.859 -2.894 1.00 42.12 H new ATOM 0 HA ASP A 75 5.308 17.040 -1.369 1.00 72.51 H new ATOM 0 HB2 ASP A 75 3.606 18.416 -2.415 1.00 1.11 H new ATOM 0 HB3 ASP A 75 2.319 17.533 -1.619 1.00 1.11 H new ATOM 1157 N ASP A 76 3.042 15.203 0.136 1.00 3.10 N ATOM 1158 CA ASP A 76 2.687 14.539 1.386 1.00 23.13 C ATOM 1159 C ASP A 76 3.623 13.372 1.673 1.00 32.44 C ATOM 1160 O ASP A 76 3.585 12.790 2.757 1.00 3.10 O ATOM 1161 CB ASP A 76 1.239 14.034 1.346 1.00 14.22 C ATOM 1162 CG ASP A 76 0.211 15.141 1.502 1.00 44.41 C ATOM 1163 OD1 ASP A 76 -0.054 15.561 2.646 1.00 13.30 O ATOM 1164 OD2 ASP A 76 -0.348 15.588 0.479 1.00 34.11 O ATOM 0 H ASP A 76 2.444 14.955 -0.653 1.00 3.10 H new ATOM 0 HA ASP A 76 2.786 15.275 2.184 1.00 23.13 H new ATOM 0 HB2 ASP A 76 1.067 13.519 0.401 1.00 14.22 H new ATOM 0 HB3 ASP A 76 1.096 13.300 2.139 1.00 14.22 H new ATOM 1169 N LEU A 77 4.459 13.033 0.696 1.00 52.42 N ATOM 1170 CA LEU A 77 5.418 11.944 0.843 1.00 24.32 C ATOM 1171 C LEU A 77 6.276 12.172 2.087 1.00 63.31 C ATOM 1172 O LEU A 77 6.464 11.269 2.903 1.00 1.01 O ATOM 1173 CB LEU A 77 6.316 11.863 -0.400 1.00 52.21 C ATOM 1174 CG LEU A 77 6.795 10.462 -0.798 1.00 3.43 C ATOM 1175 CD1 LEU A 77 7.505 9.767 0.343 1.00 33.23 C ATOM 1176 CD2 LEU A 77 5.631 9.619 -1.284 1.00 3.21 C ATOM 0 H LEU A 77 4.491 13.500 -0.210 1.00 52.42 H new ATOM 0 HA LEU A 77 4.874 11.006 0.950 1.00 24.32 H new ATOM 0 HB2 LEU A 77 5.774 12.292 -1.243 1.00 52.21 H new ATOM 0 HB3 LEU A 77 7.192 12.490 -0.232 1.00 52.21 H new ATOM 0 HG LEU A 77 7.511 10.581 -1.611 1.00 3.43 H new ATOM 0 HD11 LEU A 77 7.829 8.777 0.021 1.00 33.23 H new ATOM 0 HD12 LEU A 77 8.374 10.354 0.642 1.00 33.23 H new ATOM 0 HD13 LEU A 77 6.825 9.669 1.189 1.00 33.23 H new ATOM 0 HD21 LEU A 77 5.990 8.628 -1.562 1.00 3.21 H new ATOM 0 HD22 LEU A 77 4.891 9.527 -0.489 1.00 3.21 H new ATOM 0 HD23 LEU A 77 5.174 10.096 -2.151 1.00 3.21 H new ATOM 1188 N ALA A 78 6.759 13.403 2.232 1.00 62.30 N ATOM 1189 CA ALA A 78 7.643 13.766 3.330 1.00 63.12 C ATOM 1190 C ALA A 78 6.967 13.555 4.680 1.00 30.12 C ATOM 1191 O ALA A 78 7.605 13.137 5.646 1.00 61.01 O ATOM 1192 CB ALA A 78 8.092 15.213 3.188 1.00 42.00 C ATOM 0 H ALA A 78 6.549 14.171 1.595 1.00 62.30 H new ATOM 0 HA ALA A 78 8.516 13.115 3.286 1.00 63.12 H new ATOM 0 HB1 ALA A 78 8.753 15.472 4.015 1.00 42.00 H new ATOM 0 HB2 ALA A 78 8.625 15.338 2.245 1.00 42.00 H new ATOM 0 HB3 ALA A 78 7.220 15.867 3.201 1.00 42.00 H new ATOM 1198 N GLY A 79 5.670 13.832 4.736 1.00 14.34 N ATOM 1199 CA GLY A 79 4.941 13.675 5.977 1.00 45.23 C ATOM 1200 C GLY A 79 4.596 12.229 6.257 1.00 24.30 C ATOM 1201 O GLY A 79 4.809 11.734 7.363 1.00 72.34 O ATOM 0 H GLY A 79 5.113 14.161 3.947 1.00 14.34 H new ATOM 0 HA2 GLY A 79 5.537 14.070 6.799 1.00 45.23 H new ATOM 0 HA3 GLY A 79 4.025 14.264 5.935 1.00 45.23 H new ATOM 1205 N ALA A 80 4.087 11.547 5.240 1.00 71.01 N ATOM 1206 CA ALA A 80 3.623 10.178 5.386 1.00 71.53 C ATOM 1207 C ALA A 80 4.768 9.219 5.700 1.00 2.25 C ATOM 1208 O ALA A 80 4.668 8.414 6.628 1.00 53.41 O ATOM 1209 CB ALA A 80 2.898 9.733 4.126 1.00 43.34 C ATOM 0 H ALA A 80 3.985 11.925 4.298 1.00 71.01 H new ATOM 0 HA ALA A 80 2.932 10.153 6.229 1.00 71.53 H new ATOM 0 HB1 ALA A 80 2.555 8.706 4.247 1.00 43.34 H new ATOM 0 HB2 ALA A 80 2.041 10.383 3.950 1.00 43.34 H new ATOM 0 HB3 ALA A 80 3.577 9.791 3.276 1.00 43.34 H new ATOM 1215 N ARG A 81 5.863 9.309 4.944 1.00 22.14 N ATOM 1216 CA ARG A 81 6.974 8.378 5.130 1.00 45.11 C ATOM 1217 C ARG A 81 7.665 8.624 6.469 1.00 24.21 C ATOM 1218 O ARG A 81 8.323 7.741 7.008 1.00 4.14 O ATOM 1219 CB ARG A 81 7.980 8.454 3.970 1.00 72.45 C ATOM 1220 CG ARG A 81 8.895 9.670 3.985 1.00 21.14 C ATOM 1221 CD ARG A 81 9.796 9.682 2.753 1.00 24.54 C ATOM 1222 NE ARG A 81 10.822 10.722 2.806 1.00 12.52 N ATOM 1223 CZ ARG A 81 12.130 10.480 2.707 1.00 34.13 C ATOM 1224 NH1 ARG A 81 12.578 9.229 2.614 1.00 14.01 N ATOM 1225 NH2 ARG A 81 12.989 11.492 2.709 1.00 5.11 N ATOM 0 H ARG A 81 6.003 10.004 4.210 1.00 22.14 H new ATOM 0 HA ARG A 81 6.561 7.369 5.136 1.00 45.11 H new ATOM 0 HB2 ARG A 81 8.596 7.555 3.985 1.00 72.45 H new ATOM 0 HB3 ARG A 81 7.428 8.446 3.030 1.00 72.45 H new ATOM 0 HG2 ARG A 81 8.297 10.581 4.013 1.00 21.14 H new ATOM 0 HG3 ARG A 81 9.505 9.661 4.888 1.00 21.14 H new ATOM 0 HD2 ARG A 81 10.277 8.709 2.652 1.00 24.54 H new ATOM 0 HD3 ARG A 81 9.184 9.828 1.863 1.00 24.54 H new ATOM 0 HE ARG A 81 10.520 11.689 2.926 1.00 12.52 H new ATOM 0 HH11 ARG A 81 11.920 8.450 2.618 1.00 14.01 H new ATOM 0 HH12 ARG A 81 13.579 9.050 2.539 1.00 14.01 H new ATOM 0 HH21 ARG A 81 12.648 12.450 2.786 1.00 5.11 H new ATOM 0 HH22 ARG A 81 13.990 11.311 2.634 1.00 5.11 H new ATOM 1239 N ARG A 82 7.510 9.826 7.005 1.00 41.33 N ATOM 1240 CA ARG A 82 8.014 10.133 8.333 1.00 54.11 C ATOM 1241 C ARG A 82 7.073 9.562 9.392 1.00 50.51 C ATOM 1242 O ARG A 82 7.505 8.877 10.319 1.00 23.02 O ATOM 1243 CB ARG A 82 8.162 11.646 8.516 1.00 30.12 C ATOM 1244 CG ARG A 82 8.538 12.056 9.931 1.00 5.13 C ATOM 1245 CD ARG A 82 8.657 13.566 10.063 1.00 73.42 C ATOM 1246 NE ARG A 82 7.471 14.264 9.562 1.00 61.21 N ATOM 1247 CZ ARG A 82 6.340 14.422 10.253 1.00 74.53 C ATOM 1248 NH1 ARG A 82 6.220 13.916 11.475 1.00 30.11 N ATOM 1249 NH2 ARG A 82 5.332 15.094 9.713 1.00 12.43 N ATOM 0 H ARG A 82 7.040 10.603 6.540 1.00 41.33 H new ATOM 0 HA ARG A 82 8.997 9.676 8.448 1.00 54.11 H new ATOM 0 HB2 ARG A 82 8.922 12.014 7.826 1.00 30.12 H new ATOM 0 HB3 ARG A 82 7.224 12.130 8.244 1.00 30.12 H new ATOM 0 HG2 ARG A 82 7.787 11.687 10.629 1.00 5.13 H new ATOM 0 HG3 ARG A 82 9.484 11.590 10.206 1.00 5.13 H new ATOM 0 HD2 ARG A 82 8.813 13.826 11.110 1.00 73.42 H new ATOM 0 HD3 ARG A 82 9.535 13.908 9.515 1.00 73.42 H new ATOM 0 HE ARG A 82 7.512 14.656 8.621 1.00 61.21 H new ATOM 0 HH11 ARG A 82 6.996 13.402 11.893 1.00 30.11 H new ATOM 0 HH12 ARG A 82 5.352 14.041 11.996 1.00 30.11 H new ATOM 0 HH21 ARG A 82 5.424 15.486 8.776 1.00 12.43 H new ATOM 0 HH22 ARG A 82 4.465 15.219 10.235 1.00 12.43 H new ATOM 1263 N LEU A 83 5.784 9.832 9.220 1.00 22.01 N ATOM 1264 CA LEU A 83 4.759 9.411 10.167 1.00 4.54 C ATOM 1265 C LEU A 83 4.736 7.890 10.323 1.00 25.42 C ATOM 1266 O LEU A 83 4.774 7.365 11.440 1.00 4.03 O ATOM 1267 CB LEU A 83 3.393 9.907 9.685 1.00 52.42 C ATOM 1268 CG LEU A 83 2.231 9.673 10.650 1.00 23.43 C ATOM 1269 CD1 LEU A 83 2.448 10.451 11.937 1.00 44.50 C ATOM 1270 CD2 LEU A 83 0.914 10.071 10.001 1.00 10.13 C ATOM 0 H LEU A 83 5.420 10.349 8.420 1.00 22.01 H new ATOM 0 HA LEU A 83 4.989 9.842 11.141 1.00 4.54 H new ATOM 0 HB2 LEU A 83 3.465 10.976 9.482 1.00 52.42 H new ATOM 0 HB3 LEU A 83 3.161 9.418 8.739 1.00 52.42 H new ATOM 0 HG LEU A 83 2.188 8.611 10.892 1.00 23.43 H new ATOM 0 HD11 LEU A 83 1.612 10.274 12.614 1.00 44.50 H new ATOM 0 HD12 LEU A 83 3.374 10.122 12.409 1.00 44.50 H new ATOM 0 HD13 LEU A 83 2.514 11.515 11.712 1.00 44.50 H new ATOM 0 HD21 LEU A 83 0.097 9.898 10.701 1.00 10.13 H new ATOM 0 HD22 LEU A 83 0.945 11.127 9.733 1.00 10.13 H new ATOM 0 HD23 LEU A 83 0.755 9.473 9.103 1.00 10.13 H new ATOM 1282 N LEU A 84 4.689 7.192 9.196 1.00 73.25 N ATOM 1283 CA LEU A 84 4.616 5.734 9.184 1.00 2.03 C ATOM 1284 C LEU A 84 5.886 5.095 9.742 1.00 2.40 C ATOM 1285 O LEU A 84 5.851 3.984 10.266 1.00 23.24 O ATOM 1286 CB LEU A 84 4.355 5.230 7.765 1.00 3.34 C ATOM 1287 CG LEU A 84 3.025 5.678 7.155 1.00 44.44 C ATOM 1288 CD1 LEU A 84 2.937 5.257 5.700 1.00 32.02 C ATOM 1289 CD2 LEU A 84 1.856 5.107 7.942 1.00 43.24 C ATOM 0 H LEU A 84 4.700 7.616 8.268 1.00 73.25 H new ATOM 0 HA LEU A 84 3.788 5.442 9.830 1.00 2.03 H new ATOM 0 HB2 LEU A 84 5.166 5.569 7.120 1.00 3.34 H new ATOM 0 HB3 LEU A 84 4.386 4.140 7.771 1.00 3.34 H new ATOM 0 HG LEU A 84 2.976 6.766 7.204 1.00 44.44 H new ATOM 0 HD11 LEU A 84 1.984 5.584 5.283 1.00 32.02 H new ATOM 0 HD12 LEU A 84 3.754 5.712 5.140 1.00 32.02 H new ATOM 0 HD13 LEU A 84 3.010 4.172 5.630 1.00 32.02 H new ATOM 0 HD21 LEU A 84 0.919 5.437 7.493 1.00 43.24 H new ATOM 0 HD22 LEU A 84 1.903 4.018 7.925 1.00 43.24 H new ATOM 0 HD23 LEU A 84 1.907 5.456 8.973 1.00 43.24 H new ATOM 1301 N THR A 85 7.008 5.785 9.617 1.00 72.11 N ATOM 1302 CA THR A 85 8.277 5.260 10.099 1.00 13.22 C ATOM 1303 C THR A 85 8.444 5.503 11.598 1.00 53.11 C ATOM 1304 O THR A 85 8.967 4.652 12.321 1.00 3.44 O ATOM 1305 CB THR A 85 9.460 5.878 9.323 1.00 35.12 C ATOM 1306 OG1 THR A 85 9.347 5.546 7.936 1.00 2.13 O ATOM 1307 CG2 THR A 85 10.797 5.381 9.854 1.00 15.04 C ATOM 0 H THR A 85 7.067 6.708 9.187 1.00 72.11 H new ATOM 0 HA THR A 85 8.273 4.184 9.927 1.00 13.22 H new ATOM 0 HB THR A 85 9.423 6.959 9.456 1.00 35.12 H new ATOM 0 HG1 THR A 85 8.706 6.150 7.506 1.00 2.13 H new ATOM 0 HG21 THR A 85 11.607 5.837 9.284 1.00 15.04 H new ATOM 0 HG22 THR A 85 10.895 5.653 10.905 1.00 15.04 H new ATOM 0 HG23 THR A 85 10.848 4.297 9.754 1.00 15.04 H new ATOM 1315 N ASP A 86 7.981 6.653 12.068 1.00 14.23 N ATOM 1316 CA ASP A 86 8.157 7.026 13.466 1.00 22.23 C ATOM 1317 C ASP A 86 7.227 6.243 14.386 1.00 31.41 C ATOM 1318 O ASP A 86 7.651 5.743 15.429 1.00 50.35 O ATOM 1319 CB ASP A 86 7.926 8.526 13.655 1.00 34.52 C ATOM 1320 CG ASP A 86 8.127 8.969 15.093 1.00 4.01 C ATOM 1321 OD1 ASP A 86 9.291 9.179 15.498 1.00 23.21 O ATOM 1322 OD2 ASP A 86 7.124 9.127 15.820 1.00 12.54 O ATOM 0 H ASP A 86 7.482 7.342 11.505 1.00 14.23 H new ATOM 0 HA ASP A 86 9.184 6.780 13.736 1.00 22.23 H new ATOM 0 HB2 ASP A 86 8.608 9.079 13.009 1.00 34.52 H new ATOM 0 HB3 ASP A 86 6.913 8.777 13.339 1.00 34.52 H new ATOM 1327 N ALA A 87 5.963 6.120 13.996 1.00 54.42 N ATOM 1328 CA ALA A 87 4.969 5.491 14.859 1.00 21.42 C ATOM 1329 C ALA A 87 3.970 4.657 14.061 1.00 41.02 C ATOM 1330 O ALA A 87 2.791 4.590 14.409 1.00 32.10 O ATOM 1331 CB ALA A 87 4.243 6.556 15.665 1.00 51.34 C ATOM 0 H ALA A 87 5.605 6.444 13.098 1.00 54.42 H new ATOM 0 HA ALA A 87 5.491 4.813 15.535 1.00 21.42 H new ATOM 0 HB1 ALA A 87 3.501 6.083 16.308 1.00 51.34 H new ATOM 0 HB2 ALA A 87 4.961 7.101 16.278 1.00 51.34 H new ATOM 0 HB3 ALA A 87 3.745 7.249 14.987 1.00 51.34 H new ATOM 1337 N GLY A 88 4.438 4.015 13.003 1.00 24.52 N ATOM 1338 CA GLY A 88 3.558 3.180 12.216 1.00 41.14 C ATOM 1339 C GLY A 88 4.071 1.763 12.080 1.00 60.41 C ATOM 1340 O GLY A 88 3.627 0.856 12.783 1.00 12.14 O ATOM 0 H GLY A 88 5.404 4.056 12.677 1.00 24.52 H new ATOM 0 HA2 GLY A 88 2.571 3.163 12.677 1.00 41.14 H new ATOM 0 HA3 GLY A 88 3.439 3.617 11.224 1.00 41.14 H new ATOM 1344 N LEU A 89 5.021 1.582 11.180 1.00 33.22 N ATOM 1345 CA LEU A 89 5.542 0.262 10.859 1.00 43.41 C ATOM 1346 C LEU A 89 6.934 0.375 10.250 1.00 30.11 C ATOM 1347 O LEU A 89 7.891 -0.214 10.753 1.00 25.42 O ATOM 1348 CB LEU A 89 4.597 -0.461 9.888 1.00 24.20 C ATOM 1349 CG LEU A 89 4.119 0.376 8.697 1.00 25.41 C ATOM 1350 CD1 LEU A 89 4.064 -0.473 7.439 1.00 13.32 C ATOM 1351 CD2 LEU A 89 2.750 0.971 8.980 1.00 64.02 C ATOM 0 H LEU A 89 5.452 2.341 10.652 1.00 33.22 H new ATOM 0 HA LEU A 89 5.610 -0.317 11.780 1.00 43.41 H new ATOM 0 HB2 LEU A 89 5.102 -1.349 9.508 1.00 24.20 H new ATOM 0 HB3 LEU A 89 3.724 -0.804 10.444 1.00 24.20 H new ATOM 0 HG LEU A 89 4.830 1.188 8.543 1.00 25.41 H new ATOM 0 HD11 LEU A 89 3.723 0.137 6.603 1.00 13.32 H new ATOM 0 HD12 LEU A 89 5.058 -0.865 7.221 1.00 13.32 H new ATOM 0 HD13 LEU A 89 3.372 -1.302 7.589 1.00 13.32 H new ATOM 0 HD21 LEU A 89 2.426 1.562 8.124 1.00 64.02 H new ATOM 0 HD22 LEU A 89 2.034 0.168 9.158 1.00 64.02 H new ATOM 0 HD23 LEU A 89 2.806 1.610 9.861 1.00 64.02 H new ATOM 1363 N ALA A 90 7.022 1.140 9.159 1.00 42.44 N ATOM 1364 CA ALA A 90 8.285 1.408 8.460 1.00 4.21 C ATOM 1365 C ALA A 90 8.910 0.145 7.865 1.00 12.32 C ATOM 1366 O ALA A 90 10.061 0.167 7.438 1.00 50.11 O ATOM 1367 CB ALA A 90 9.276 2.091 9.392 1.00 52.34 C ATOM 0 H ALA A 90 6.215 1.594 8.732 1.00 42.44 H new ATOM 0 HA ALA A 90 8.048 2.073 7.629 1.00 4.21 H new ATOM 0 HB1 ALA A 90 10.206 2.282 8.857 1.00 52.34 H new ATOM 0 HB2 ALA A 90 8.857 3.035 9.740 1.00 52.34 H new ATOM 0 HB3 ALA A 90 9.475 1.446 10.247 1.00 52.34 H new ATOM 1373 N HIS A 91 8.157 -0.944 7.812 1.00 74.32 N ATOM 1374 CA HIS A 91 8.712 -2.201 7.318 1.00 54.31 C ATOM 1375 C HIS A 91 8.201 -2.516 5.912 1.00 53.01 C ATOM 1376 O HIS A 91 8.870 -3.197 5.140 1.00 72.03 O ATOM 1377 CB HIS A 91 8.384 -3.349 8.279 1.00 44.02 C ATOM 1378 CG HIS A 91 9.228 -4.570 8.058 1.00 5.43 C ATOM 1379 ND1 HIS A 91 10.501 -4.705 8.577 1.00 45.43 N ATOM 1380 CD2 HIS A 91 8.986 -5.707 7.364 1.00 0.11 C ATOM 1381 CE1 HIS A 91 11.003 -5.869 8.208 1.00 53.13 C ATOM 1382 NE2 HIS A 91 10.105 -6.494 7.472 1.00 1.25 N ATOM 0 H HIS A 91 7.179 -0.987 8.098 1.00 74.32 H new ATOM 0 HA HIS A 91 9.795 -2.091 7.265 1.00 54.31 H new ATOM 0 HB2 HIS A 91 8.518 -3.004 9.304 1.00 44.02 H new ATOM 0 HB3 HIS A 91 7.333 -3.617 8.168 1.00 44.02 H new ATOM 0 HD2 HIS A 91 8.081 -5.949 6.826 1.00 0.11 H new ATOM 0 HE1 HIS A 91 11.982 -6.245 8.465 1.00 53.13 H new ATOM 0 HE2 HIS A 91 10.223 -7.415 7.050 1.00 1.25 H new ATOM 1391 N GLU A 92 7.022 -2.005 5.585 1.00 51.43 N ATOM 1392 CA GLU A 92 6.417 -2.258 4.281 1.00 32.13 C ATOM 1393 C GLU A 92 6.681 -1.095 3.327 1.00 44.31 C ATOM 1394 O GLU A 92 6.305 -1.136 2.155 1.00 11.40 O ATOM 1395 CB GLU A 92 4.909 -2.474 4.440 1.00 44.03 C ATOM 1396 CG GLU A 92 4.543 -3.603 5.393 1.00 12.31 C ATOM 1397 CD GLU A 92 5.048 -4.953 4.928 1.00 2.33 C ATOM 1398 OE1 GLU A 92 4.338 -5.624 4.150 1.00 31.02 O ATOM 1399 OE2 GLU A 92 6.149 -5.359 5.355 1.00 1.54 O ATOM 0 H GLU A 92 6.465 -1.414 6.202 1.00 51.43 H new ATOM 0 HA GLU A 92 6.867 -3.157 3.859 1.00 32.13 H new ATOM 0 HB2 GLU A 92 4.455 -1.549 4.797 1.00 44.03 H new ATOM 0 HB3 GLU A 92 4.477 -2.684 3.461 1.00 44.03 H new ATOM 0 HG2 GLU A 92 4.954 -3.387 6.379 1.00 12.31 H new ATOM 0 HG3 GLU A 92 3.459 -3.644 5.501 1.00 12.31 H new ATOM 1406 N LEU A 93 7.330 -0.058 3.836 1.00 43.11 N ATOM 1407 CA LEU A 93 7.608 1.131 3.042 1.00 62.20 C ATOM 1408 C LEU A 93 8.705 0.853 2.027 1.00 34.55 C ATOM 1409 O LEU A 93 9.723 0.236 2.350 1.00 44.23 O ATOM 1410 CB LEU A 93 8.005 2.313 3.937 1.00 43.41 C ATOM 1411 CG LEU A 93 6.856 3.014 4.668 1.00 54.53 C ATOM 1412 CD1 LEU A 93 6.222 2.106 5.706 1.00 61.44 C ATOM 1413 CD2 LEU A 93 7.347 4.297 5.322 1.00 53.11 C ATOM 0 H LEU A 93 7.674 -0.015 4.795 1.00 43.11 H new ATOM 0 HA LEU A 93 6.695 1.396 2.509 1.00 62.20 H new ATOM 0 HB2 LEU A 93 8.719 1.958 4.680 1.00 43.41 H new ATOM 0 HB3 LEU A 93 8.523 3.050 3.324 1.00 43.41 H new ATOM 0 HG LEU A 93 6.095 3.261 3.928 1.00 54.53 H new ATOM 0 HD11 LEU A 93 5.411 2.635 6.205 1.00 61.44 H new ATOM 0 HD12 LEU A 93 5.828 1.215 5.218 1.00 61.44 H new ATOM 0 HD13 LEU A 93 6.972 1.815 6.441 1.00 61.44 H new ATOM 0 HD21 LEU A 93 6.518 4.783 5.837 1.00 53.11 H new ATOM 0 HD22 LEU A 93 8.133 4.062 6.040 1.00 53.11 H new ATOM 0 HD23 LEU A 93 7.742 4.967 4.558 1.00 53.11 H new ATOM 1425 N ARG A 94 8.489 1.306 0.800 1.00 52.52 N ATOM 1426 CA ARG A 94 9.443 1.088 -0.276 1.00 62.43 C ATOM 1427 C ARG A 94 9.268 2.137 -1.368 1.00 72.04 C ATOM 1428 O ARG A 94 8.466 1.976 -2.287 1.00 34.44 O ATOM 1429 CB ARG A 94 9.291 -0.326 -0.855 1.00 30.15 C ATOM 1430 CG ARG A 94 10.252 -0.638 -1.994 1.00 43.31 C ATOM 1431 CD ARG A 94 11.705 -0.574 -1.551 1.00 73.52 C ATOM 1432 NE ARG A 94 12.623 -0.801 -2.669 1.00 74.14 N ATOM 1433 CZ ARG A 94 13.933 -1.016 -2.532 1.00 75.33 C ATOM 1434 NH1 ARG A 94 14.501 -0.959 -1.331 1.00 23.40 N ATOM 1435 NH2 ARG A 94 14.678 -1.253 -3.604 1.00 71.33 N ATOM 0 H ARG A 94 7.657 1.829 0.525 1.00 52.52 H new ATOM 0 HA ARG A 94 10.449 1.184 0.133 1.00 62.43 H new ATOM 0 HB2 ARG A 94 9.443 -1.052 -0.056 1.00 30.15 H new ATOM 0 HB3 ARG A 94 8.269 -0.453 -1.211 1.00 30.15 H new ATOM 0 HG2 ARG A 94 10.037 -1.632 -2.387 1.00 43.31 H new ATOM 0 HG3 ARG A 94 10.090 0.069 -2.808 1.00 43.31 H new ATOM 0 HD2 ARG A 94 11.907 0.400 -1.106 1.00 73.52 H new ATOM 0 HD3 ARG A 94 11.883 -1.321 -0.777 1.00 73.52 H new ATOM 0 HE ARG A 94 12.236 -0.794 -3.613 1.00 74.14 H new ATOM 0 HH11 ARG A 94 13.935 -0.750 -0.509 1.00 23.40 H new ATOM 0 HH12 ARG A 94 15.503 -1.124 -1.232 1.00 23.40 H new ATOM 0 HH21 ARG A 94 14.249 -1.270 -4.529 1.00 71.33 H new ATOM 0 HH22 ARG A 94 15.680 -1.418 -3.503 1.00 71.33 H new ATOM 1449 N SER A 95 10.006 3.226 -1.241 1.00 12.24 N ATOM 1450 CA SER A 95 10.015 4.265 -2.253 1.00 31.22 C ATOM 1451 C SER A 95 11.360 4.247 -2.974 1.00 41.13 C ATOM 1452 O SER A 95 12.147 5.190 -2.871 1.00 45.45 O ATOM 1453 CB SER A 95 9.759 5.632 -1.613 1.00 31.21 C ATOM 1454 OG SER A 95 8.537 5.632 -0.892 1.00 20.21 O ATOM 0 H SER A 95 10.610 3.413 -0.441 1.00 12.24 H new ATOM 0 HA SER A 95 9.220 4.080 -2.975 1.00 31.22 H new ATOM 0 HB2 SER A 95 10.581 5.884 -0.943 1.00 31.21 H new ATOM 0 HB3 SER A 95 9.730 6.400 -2.386 1.00 31.21 H new ATOM 0 HG SER A 95 8.394 6.514 -0.490 1.00 20.21 H new ATOM 1460 N ASP A 96 11.624 3.135 -3.670 1.00 73.44 N ATOM 1461 CA ASP A 96 12.930 2.875 -4.294 1.00 55.41 C ATOM 1462 C ASP A 96 14.000 2.719 -3.221 1.00 14.23 C ATOM 1463 O ASP A 96 15.199 2.739 -3.497 1.00 13.24 O ATOM 1464 CB ASP A 96 13.310 3.981 -5.283 1.00 54.21 C ATOM 1465 CG ASP A 96 12.441 3.963 -6.524 1.00 64.04 C ATOM 1466 OD1 ASP A 96 12.764 3.214 -7.466 1.00 25.31 O ATOM 1467 OD2 ASP A 96 11.427 4.693 -6.564 1.00 4.01 O ATOM 0 H ASP A 96 10.942 2.391 -3.817 1.00 73.44 H new ATOM 0 HA ASP A 96 12.857 1.945 -4.858 1.00 55.41 H new ATOM 0 HB2 ASP A 96 13.221 4.951 -4.793 1.00 54.21 H new ATOM 0 HB3 ASP A 96 14.355 3.865 -5.571 1.00 54.21 H new ATOM 1472 N ASP A 97 13.529 2.549 -1.996 1.00 72.40 N ATOM 1473 CA ASP A 97 14.374 2.355 -0.832 1.00 74.01 C ATOM 1474 C ASP A 97 13.521 1.845 0.317 1.00 32.45 C ATOM 1475 O ASP A 97 12.601 2.578 0.741 1.00 0.00 O ATOM 1476 CB ASP A 97 15.073 3.656 -0.430 1.00 30.44 C ATOM 1477 CG ASP A 97 15.812 3.530 0.890 1.00 33.14 C ATOM 1478 OD1 ASP A 97 16.910 2.934 0.911 1.00 51.53 O ATOM 1479 OD2 ASP A 97 15.295 4.032 1.914 1.00 53.54 O ATOM 1480 OXT ASP A 97 13.760 0.711 0.778 1.00 0.00 O ATOM 0 H ASP A 97 12.532 2.542 -1.781 1.00 72.40 H new ATOM 0 HA ASP A 97 15.147 1.626 -1.076 1.00 74.01 H new ATOM 0 HB2 ASP A 97 15.776 3.944 -1.211 1.00 30.44 H new ATOM 0 HB3 ASP A 97 14.335 4.454 -0.356 1.00 30.44 H new TER 1485 ASP A 97