USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 765 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 88 THR OG1 : rot 99:sc= 0.172 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.82 K(o=-0.65,f=0.68) USER MOD Set 2.1: A 81 TYR OH : rot 30:sc= 0.864 USER MOD Set 2.2: A 83 LYS NZ :NH3+ -126:sc= 0.783 (180deg=-0.0999) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= -0.152 USER MOD Set 3.2: A 61 GLN : amide:sc= -0.672! C(o=-0.82!,f=-5.8!) USER MOD Set 4.1: A 31 MET CE :methyl -163:sc= -0.0514 (180deg=-0.408) USER MOD Set 4.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0633 (180deg=-0.437) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.00725 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.456 K(o=-0.46,f=-2.9!) 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 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.198 USER MOD Single : A 10 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=-0.0068) USER MOD Single : A 11 MET CE :methyl -156:sc= -0.131 (180deg=-1.36) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 75:sc= 0.17 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc=-0.000608 (180deg=-0.0771) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.15 K(o=1.1,f=-0.093) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -116:sc= 0.913 (180deg=0.704) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.115 (180deg=-0.498) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.06! X(o=-1.1!,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ -114:sc= 0.223 (180deg=-0.0706) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.540 -47.001 3.737 1.00 43.55 N ATOM 2 CA MET A 1 30.682 -47.656 5.066 1.00 4.23 C ATOM 3 C MET A 1 29.530 -47.267 6.002 1.00 41.12 C ATOM 4 O MET A 1 29.090 -46.122 6.004 1.00 4.01 O ATOM 5 CB MET A 1 32.032 -47.278 5.697 1.00 45.15 C ATOM 6 CG MET A 1 32.216 -47.780 7.124 1.00 63.21 C ATOM 7 SD MET A 1 33.868 -47.453 7.773 1.00 62.00 S ATOM 8 CE MET A 1 34.863 -48.556 6.767 1.00 4.50 C ATOM 0 H1 MET A 1 31.446 -46.569 3.464 1.00 43.55 H new ATOM 0 H2 MET A 1 30.267 -47.711 3.028 1.00 43.55 H new ATOM 0 H3 MET A 1 29.807 -46.265 3.789 1.00 43.55 H new ATOM 0 HA MET A 1 30.645 -48.735 4.919 1.00 4.23 H new ATOM 0 HB2 MET A 1 32.835 -47.677 5.077 1.00 45.15 H new ATOM 0 HB3 MET A 1 32.133 -46.193 5.690 1.00 45.15 H new ATOM 0 HG2 MET A 1 31.477 -47.306 7.769 1.00 63.21 H new ATOM 0 HG3 MET A 1 32.024 -48.853 7.155 1.00 63.21 H new ATOM 0 HE1 MET A 1 35.830 -48.711 7.245 1.00 4.50 H new ATOM 0 HE2 MET A 1 34.352 -49.513 6.663 1.00 4.50 H new ATOM 0 HE3 MET A 1 35.011 -48.115 5.781 1.00 4.50 H new ATOM 20 N GLY A 2 29.044 -48.227 6.791 1.00 2.30 N ATOM 21 CA GLY A 2 27.954 -47.960 7.727 1.00 3.11 C ATOM 22 C GLY A 2 28.411 -47.218 8.981 1.00 31.01 C ATOM 23 O GLY A 2 27.709 -46.339 9.483 1.00 1.51 O ATOM 0 H GLY A 2 29.385 -49.188 6.800 1.00 2.30 H new ATOM 0 HA2 GLY A 2 27.186 -47.372 7.224 1.00 3.11 H new ATOM 0 HA3 GLY A 2 27.493 -48.904 8.018 1.00 3.11 H new ATOM 27 N HIS A 3 29.587 -47.590 9.482 1.00 60.04 N ATOM 28 CA HIS A 3 30.177 -46.979 10.683 1.00 0.25 C ATOM 29 C HIS A 3 30.117 -45.438 10.667 1.00 43.23 C ATOM 30 O HIS A 3 30.807 -44.788 9.880 1.00 11.51 O ATOM 31 CB HIS A 3 31.635 -47.445 10.827 1.00 54.43 C ATOM 32 CG HIS A 3 32.414 -46.730 11.894 1.00 72.12 C ATOM 33 ND1 HIS A 3 32.387 -47.089 13.222 1.00 21.24 N ATOM 34 CD2 HIS A 3 33.259 -45.674 11.814 1.00 32.12 C ATOM 35 CE1 HIS A 3 33.175 -46.288 13.910 1.00 14.21 C ATOM 36 NE2 HIS A 3 33.717 -45.421 13.082 1.00 45.41 N ATOM 0 H HIS A 3 30.163 -48.324 9.070 1.00 60.04 H new ATOM 0 HA HIS A 3 29.585 -47.306 11.537 1.00 0.25 H new ATOM 0 HB2 HIS A 3 31.642 -48.513 11.044 1.00 54.43 H new ATOM 0 HB3 HIS A 3 32.143 -47.310 9.872 1.00 54.43 H new ATOM 0 HD2 HIS A 3 33.523 -45.132 10.918 1.00 32.12 H new ATOM 0 HE1 HIS A 3 33.347 -46.335 14.975 1.00 14.21 H new ATOM 0 HE2 HIS A 3 34.371 -44.682 13.341 1.00 45.41 H new ATOM 45 N HIS A 4 29.276 -44.873 11.543 1.00 40.44 N ATOM 46 CA HIS A 4 29.196 -43.413 11.756 1.00 15.23 C ATOM 47 C HIS A 4 28.627 -42.659 10.528 1.00 33.10 C ATOM 48 O HIS A 4 28.660 -41.429 10.469 1.00 1.32 O ATOM 49 CB HIS A 4 30.588 -42.868 12.141 1.00 22.13 C ATOM 50 CG HIS A 4 30.619 -41.399 12.444 1.00 5.41 C ATOM 51 ND1 HIS A 4 31.050 -40.455 11.539 1.00 24.22 N ATOM 52 CD2 HIS A 4 30.275 -40.712 13.559 1.00 41.13 C ATOM 53 CE1 HIS A 4 30.966 -39.258 12.078 1.00 34.45 C ATOM 54 NE2 HIS A 4 30.501 -39.382 13.303 1.00 24.04 N ATOM 0 H HIS A 4 28.632 -45.409 12.125 1.00 40.44 H new ATOM 0 HA HIS A 4 28.496 -43.237 12.573 1.00 15.23 H new ATOM 0 HB2 HIS A 4 30.949 -43.414 13.013 1.00 22.13 H new ATOM 0 HB3 HIS A 4 31.282 -43.073 11.326 1.00 22.13 H new ATOM 0 HD2 HIS A 4 29.894 -41.132 14.478 1.00 41.13 H new ATOM 0 HE1 HIS A 4 31.234 -38.329 11.596 1.00 34.45 H new ATOM 0 HE2 HIS A 4 30.336 -38.616 13.955 1.00 24.04 H new ATOM 63 N HIS A 5 28.072 -43.393 9.573 1.00 41.51 N ATOM 64 CA HIS A 5 27.523 -42.790 8.353 1.00 74.13 C ATOM 65 C HIS A 5 26.105 -42.237 8.590 1.00 23.03 C ATOM 66 O HIS A 5 25.122 -42.977 8.539 1.00 73.43 O ATOM 67 CB HIS A 5 27.518 -43.829 7.222 1.00 3.01 C ATOM 68 CG HIS A 5 27.050 -43.305 5.895 1.00 5.32 C ATOM 69 ND1 HIS A 5 27.883 -42.675 4.995 1.00 32.14 N ATOM 70 CD2 HIS A 5 25.829 -43.334 5.307 1.00 74.12 C ATOM 71 CE1 HIS A 5 27.200 -42.342 3.920 1.00 1.24 C ATOM 72 NE2 HIS A 5 25.951 -42.731 4.080 1.00 21.55 N ATOM 0 H HIS A 5 27.987 -44.409 9.614 1.00 41.51 H new ATOM 0 HA HIS A 5 28.156 -41.951 8.066 1.00 74.13 H new ATOM 0 HB2 HIS A 5 28.527 -44.226 7.106 1.00 3.01 H new ATOM 0 HB3 HIS A 5 26.879 -44.662 7.515 1.00 3.01 H new ATOM 0 HD2 HIS A 5 24.927 -43.754 5.726 1.00 74.12 H new ATOM 0 HE1 HIS A 5 27.597 -41.835 3.053 1.00 1.24 H new ATOM 0 HE2 HIS A 5 25.198 -42.605 3.403 1.00 21.55 H new ATOM 81 N HIS A 6 26.003 -40.931 8.853 1.00 21.12 N ATOM 82 CA HIS A 6 24.703 -40.287 9.096 1.00 2.14 C ATOM 83 C HIS A 6 24.549 -39.000 8.263 1.00 4.12 C ATOM 84 O HIS A 6 25.533 -38.329 7.949 1.00 3.44 O ATOM 85 CB HIS A 6 24.541 -39.978 10.593 1.00 53.32 C ATOM 86 CG HIS A 6 23.167 -39.501 10.967 1.00 23.54 C ATOM 87 ND1 HIS A 6 22.809 -38.171 10.988 1.00 33.51 N ATOM 88 CD2 HIS A 6 22.057 -40.186 11.335 1.00 15.15 C ATOM 89 CE1 HIS A 6 21.546 -38.058 11.346 1.00 60.44 C ATOM 90 NE2 HIS A 6 21.067 -39.264 11.562 1.00 42.13 N ATOM 0 H HIS A 6 26.801 -40.298 8.904 1.00 21.12 H new ATOM 0 HA HIS A 6 23.919 -40.978 8.786 1.00 2.14 H new ATOM 0 HB2 HIS A 6 24.773 -40.875 11.167 1.00 53.32 H new ATOM 0 HB3 HIS A 6 25.269 -39.219 10.879 1.00 53.32 H new ATOM 0 HD1 HIS A 6 23.427 -37.392 10.761 1.00 33.51 H new ATOM 0 HD2 HIS A 6 21.968 -41.258 11.432 1.00 15.15 H new ATOM 0 HE1 HIS A 6 20.998 -37.133 11.445 1.00 60.44 H new ATOM 99 N HIS A 7 23.307 -38.665 7.904 1.00 41.40 N ATOM 100 CA HIS A 7 23.021 -37.477 7.080 1.00 13.21 C ATOM 101 C HIS A 7 22.755 -36.221 7.940 1.00 0.42 C ATOM 102 O HIS A 7 22.797 -36.265 9.168 1.00 23.22 O ATOM 103 CB HIS A 7 21.805 -37.746 6.181 1.00 71.20 C ATOM 104 CG HIS A 7 21.964 -38.931 5.275 1.00 2.42 C ATOM 105 ND1 HIS A 7 21.372 -40.150 5.517 1.00 52.20 N ATOM 106 CD2 HIS A 7 22.644 -39.074 4.109 1.00 62.33 C ATOM 107 CE1 HIS A 7 21.676 -40.988 4.549 1.00 3.12 C ATOM 108 NE2 HIS A 7 22.445 -40.364 3.681 1.00 25.12 N ATOM 0 H HIS A 7 22.479 -39.198 8.169 1.00 41.40 H new ATOM 0 HA HIS A 7 23.904 -37.284 6.471 1.00 13.21 H new ATOM 0 HB2 HIS A 7 20.928 -37.898 6.810 1.00 71.20 H new ATOM 0 HB3 HIS A 7 21.612 -36.861 5.574 1.00 71.20 H new ATOM 0 HD2 HIS A 7 23.231 -38.316 3.611 1.00 62.33 H new ATOM 0 HE1 HIS A 7 21.350 -42.015 4.478 1.00 3.12 H new ATOM 0 HE2 HIS A 7 22.830 -40.772 2.829 1.00 25.12 H new ATOM 117 N HIS A 8 22.499 -35.096 7.272 1.00 50.32 N ATOM 118 CA HIS A 8 22.121 -33.844 7.947 1.00 75.12 C ATOM 119 C HIS A 8 21.043 -33.094 7.147 1.00 71.41 C ATOM 120 O HIS A 8 21.296 -32.634 6.031 1.00 20.31 O ATOM 121 CB HIS A 8 23.344 -32.933 8.139 1.00 14.43 C ATOM 122 CG HIS A 8 24.312 -33.422 9.172 1.00 45.24 C ATOM 123 ND1 HIS A 8 24.207 -33.101 10.507 1.00 53.21 N ATOM 124 CD2 HIS A 8 25.413 -34.204 9.063 1.00 71.32 C ATOM 125 CE1 HIS A 8 25.198 -33.657 11.172 1.00 33.21 C ATOM 126 NE2 HIS A 8 25.942 -34.333 10.321 1.00 34.10 N ATOM 0 H HIS A 8 22.546 -35.022 6.256 1.00 50.32 H new ATOM 0 HA HIS A 8 21.718 -34.107 8.925 1.00 75.12 H new ATOM 0 HB2 HIS A 8 23.864 -32.835 7.186 1.00 14.43 H new ATOM 0 HB3 HIS A 8 23.002 -31.937 8.419 1.00 14.43 H new ATOM 0 HD2 HIS A 8 25.801 -34.643 8.156 1.00 71.32 H new ATOM 0 HE1 HIS A 8 25.371 -33.573 12.235 1.00 33.21 H new ATOM 0 HE2 HIS A 8 26.778 -34.867 10.560 1.00 34.10 H new ATOM 135 N SER A 9 19.852 -32.964 7.726 1.00 14.20 N ATOM 136 CA SER A 9 18.734 -32.265 7.065 1.00 61.34 C ATOM 137 C SER A 9 17.898 -31.463 8.074 1.00 34.42 C ATOM 138 O SER A 9 18.128 -31.531 9.283 1.00 23.31 O ATOM 139 CB SER A 9 17.829 -33.263 6.325 1.00 34.31 C ATOM 140 OG SER A 9 16.754 -32.599 5.676 1.00 1.11 O ATOM 0 H SER A 9 19.628 -33.331 8.651 1.00 14.20 H new ATOM 0 HA SER A 9 19.167 -31.571 6.345 1.00 61.34 H new ATOM 0 HB2 SER A 9 18.416 -33.814 5.590 1.00 34.31 H new ATOM 0 HB3 SER A 9 17.435 -33.994 7.031 1.00 34.31 H new ATOM 0 HG SER A 9 16.195 -33.257 5.212 1.00 1.11 H new ATOM 146 N HIS A 10 16.920 -30.712 7.566 1.00 64.22 N ATOM 147 CA HIS A 10 16.058 -29.863 8.403 1.00 51.44 C ATOM 148 C HIS A 10 14.729 -29.545 7.692 1.00 54.51 C ATOM 149 O HIS A 10 14.682 -29.452 6.464 1.00 53.42 O ATOM 150 CB HIS A 10 16.788 -28.557 8.773 1.00 55.40 C ATOM 151 CG HIS A 10 17.358 -27.817 7.592 1.00 62.02 C ATOM 152 ND1 HIS A 10 18.707 -27.768 7.314 1.00 52.35 N ATOM 153 CD2 HIS A 10 16.756 -27.084 6.623 1.00 54.22 C ATOM 154 CE1 HIS A 10 18.909 -27.053 6.228 1.00 14.22 C ATOM 155 NE2 HIS A 10 17.746 -26.625 5.788 1.00 31.04 N ATOM 0 H HIS A 10 16.701 -30.672 6.571 1.00 64.22 H new ATOM 0 HA HIS A 10 15.831 -30.414 9.316 1.00 51.44 H new ATOM 0 HB2 HIS A 10 16.094 -27.901 9.299 1.00 55.40 H new ATOM 0 HB3 HIS A 10 17.596 -28.789 9.468 1.00 55.40 H new ATOM 0 HD2 HIS A 10 15.697 -26.896 6.526 1.00 54.22 H new ATOM 0 HE1 HIS A 10 19.868 -26.852 5.774 1.00 14.22 H new ATOM 0 HE2 HIS A 10 17.602 -26.046 4.961 1.00 31.04 H new ATOM 164 N MET A 11 13.656 -29.375 8.466 1.00 2.42 N ATOM 165 CA MET A 11 12.324 -29.085 7.908 1.00 10.11 C ATOM 166 C MET A 11 11.930 -27.614 8.155 1.00 4.25 C ATOM 167 O MET A 11 12.128 -27.081 9.249 1.00 52.33 O ATOM 168 CB MET A 11 11.289 -30.041 8.531 1.00 15.30 C ATOM 169 CG MET A 11 9.962 -30.122 7.779 1.00 4.51 C ATOM 170 SD MET A 11 9.002 -28.598 7.852 1.00 10.31 S ATOM 171 CE MET A 11 8.669 -28.486 9.611 1.00 32.54 C ATOM 0 H MET A 11 13.678 -29.432 9.484 1.00 2.42 H new ATOM 0 HA MET A 11 12.350 -29.241 6.829 1.00 10.11 H new ATOM 0 HB2 MET A 11 11.723 -31.040 8.584 1.00 15.30 H new ATOM 0 HB3 MET A 11 11.092 -29.724 9.555 1.00 15.30 H new ATOM 0 HG2 MET A 11 10.159 -30.369 6.736 1.00 4.51 H new ATOM 0 HG3 MET A 11 9.368 -30.937 8.193 1.00 4.51 H new ATOM 0 HE1 MET A 11 7.774 -27.885 9.774 1.00 32.54 H new ATOM 0 HE2 MET A 11 8.514 -29.486 10.016 1.00 32.54 H new ATOM 0 HE3 MET A 11 9.516 -28.018 10.113 1.00 32.54 H new ATOM 181 N ALA A 12 11.371 -26.966 7.131 1.00 41.43 N ATOM 182 CA ALA A 12 11.010 -25.542 7.209 1.00 54.34 C ATOM 183 C ALA A 12 9.693 -25.311 7.974 1.00 70.32 C ATOM 184 O ALA A 12 8.600 -25.481 7.424 1.00 55.34 O ATOM 185 CB ALA A 12 10.920 -24.950 5.806 1.00 53.10 C ATOM 0 H ALA A 12 11.157 -27.403 6.234 1.00 41.43 H new ATOM 0 HA ALA A 12 11.796 -25.036 7.769 1.00 54.34 H new ATOM 0 HB1 ALA A 12 10.652 -23.895 5.873 1.00 53.10 H new ATOM 0 HB2 ALA A 12 11.884 -25.049 5.307 1.00 53.10 H new ATOM 0 HB3 ALA A 12 10.159 -25.482 5.235 1.00 53.10 H new ATOM 191 N LYS A 13 9.809 -24.898 9.238 1.00 54.55 N ATOM 192 CA LYS A 13 8.639 -24.691 10.111 1.00 25.23 C ATOM 193 C LYS A 13 7.835 -23.433 9.724 1.00 34.23 C ATOM 194 O LYS A 13 8.386 -22.332 9.638 1.00 45.43 O ATOM 195 CB LYS A 13 9.075 -24.591 11.587 1.00 62.33 C ATOM 196 CG LYS A 13 10.162 -23.548 11.844 1.00 1.02 C ATOM 197 CD LYS A 13 10.329 -23.251 13.333 1.00 53.43 C ATOM 198 CE LYS A 13 9.137 -22.484 13.899 1.00 4.22 C ATOM 199 NZ LYS A 13 9.253 -22.272 15.366 1.00 41.42 N ATOM 0 H LYS A 13 10.703 -24.698 9.686 1.00 54.55 H new ATOM 0 HA LYS A 13 7.990 -25.557 9.978 1.00 25.23 H new ATOM 0 HB2 LYS A 13 8.204 -24.351 12.197 1.00 62.33 H new ATOM 0 HB3 LYS A 13 9.436 -25.566 11.916 1.00 62.33 H new ATOM 0 HG2 LYS A 13 11.109 -23.903 11.437 1.00 1.02 H new ATOM 0 HG3 LYS A 13 9.913 -22.627 11.316 1.00 1.02 H new ATOM 0 HD2 LYS A 13 10.450 -24.187 13.878 1.00 53.43 H new ATOM 0 HD3 LYS A 13 11.239 -22.672 13.488 1.00 53.43 H new ATOM 0 HE2 LYS A 13 9.057 -21.519 13.399 1.00 4.22 H new ATOM 0 HE3 LYS A 13 8.219 -23.031 13.684 1.00 4.22 H new ATOM 0 HZ1 LYS A 13 8.422 -21.748 15.708 1.00 41.42 H new ATOM 0 HZ2 LYS A 13 9.303 -23.193 15.847 1.00 41.42 H new ATOM 0 HZ3 LYS A 13 10.115 -21.727 15.571 1.00 41.42 H new ATOM 213 N PRO A 14 6.519 -23.584 9.469 1.00 64.34 N ATOM 214 CA PRO A 14 5.616 -22.454 9.236 1.00 45.33 C ATOM 215 C PRO A 14 4.916 -21.977 10.525 1.00 3.25 C ATOM 216 O PRO A 14 5.049 -22.596 11.584 1.00 22.30 O ATOM 217 CB PRO A 14 4.599 -23.065 8.273 1.00 63.44 C ATOM 218 CG PRO A 14 4.472 -24.490 8.721 1.00 41.32 C ATOM 219 CD PRO A 14 5.801 -24.872 9.350 1.00 65.21 C ATOM 0 HA PRO A 14 6.132 -21.570 8.862 1.00 45.33 H new ATOM 0 HB2 PRO A 14 3.642 -22.546 8.323 1.00 63.44 H new ATOM 0 HB3 PRO A 14 4.942 -23.002 7.240 1.00 63.44 H new ATOM 0 HG2 PRO A 14 3.659 -24.599 9.439 1.00 41.32 H new ATOM 0 HG3 PRO A 14 4.242 -25.141 7.878 1.00 41.32 H new ATOM 0 HD2 PRO A 14 5.662 -25.344 10.323 1.00 65.21 H new ATOM 0 HD3 PRO A 14 6.349 -25.580 8.728 1.00 65.21 H new ATOM 227 N THR A 15 4.174 -20.874 10.430 1.00 74.22 N ATOM 228 CA THR A 15 3.378 -20.368 11.561 1.00 71.31 C ATOM 229 C THR A 15 1.914 -20.165 11.152 1.00 23.02 C ATOM 230 O THR A 15 1.624 -19.530 10.136 1.00 41.11 O ATOM 231 CB THR A 15 3.938 -19.037 12.126 1.00 34.54 C ATOM 232 OG1 THR A 15 4.034 -18.048 11.087 1.00 64.32 O ATOM 233 CG2 THR A 15 5.311 -19.243 12.759 1.00 32.04 C ATOM 0 H THR A 15 4.104 -20.310 9.583 1.00 74.22 H new ATOM 0 HA THR A 15 3.440 -21.124 12.344 1.00 71.31 H new ATOM 0 HB THR A 15 3.247 -18.688 12.893 1.00 34.54 H new ATOM 0 HG1 THR A 15 4.387 -17.214 11.461 1.00 64.32 H new ATOM 0 HG21 THR A 15 5.679 -18.293 13.147 1.00 32.04 H new ATOM 0 HG22 THR A 15 5.231 -19.961 13.575 1.00 32.04 H new ATOM 0 HG23 THR A 15 6.005 -19.622 12.008 1.00 32.04 H new ATOM 241 N ALA A 16 0.994 -20.720 11.939 1.00 70.25 N ATOM 242 CA ALA A 16 -0.439 -20.672 11.614 1.00 65.32 C ATOM 243 C ALA A 16 -1.156 -19.506 12.316 1.00 74.20 C ATOM 244 O ALA A 16 -1.267 -19.481 13.543 1.00 74.31 O ATOM 245 CB ALA A 16 -1.104 -21.995 11.982 1.00 74.12 C ATOM 0 H ALA A 16 1.211 -21.209 12.807 1.00 70.25 H new ATOM 0 HA ALA A 16 -0.524 -20.506 10.540 1.00 65.32 H new ATOM 0 HB1 ALA A 16 -2.165 -21.949 11.737 1.00 74.12 H new ATOM 0 HB2 ALA A 16 -0.637 -22.805 11.422 1.00 74.12 H new ATOM 0 HB3 ALA A 16 -0.985 -22.177 13.050 1.00 74.12 H new ATOM 251 N ARG A 17 -1.644 -18.545 11.529 1.00 73.23 N ATOM 252 CA ARG A 17 -2.417 -17.411 12.056 1.00 14.44 C ATOM 253 C ARG A 17 -3.683 -17.173 11.213 1.00 33.13 C ATOM 254 O ARG A 17 -3.624 -16.567 10.140 1.00 53.33 O ATOM 255 CB ARG A 17 -1.555 -16.137 12.081 1.00 65.35 C ATOM 256 CG ARG A 17 -0.396 -16.191 13.073 1.00 14.54 C ATOM 257 CD ARG A 17 0.473 -14.938 13.009 1.00 1.44 C ATOM 258 NE ARG A 17 -0.283 -13.719 13.295 1.00 34.51 N ATOM 259 CZ ARG A 17 0.258 -12.567 13.587 1.00 72.10 C ATOM 260 NH1 ARG A 17 1.540 -12.457 13.731 1.00 0.44 N ATOM 261 NH2 ARG A 17 -0.495 -11.531 13.763 1.00 64.31 N ATOM 0 H ARG A 17 -1.518 -18.527 10.517 1.00 73.23 H new ATOM 0 HA ARG A 17 -2.719 -17.653 13.075 1.00 14.44 H new ATOM 0 HB2 ARG A 17 -1.157 -15.961 11.082 1.00 65.35 H new ATOM 0 HB3 ARG A 17 -2.190 -15.286 12.326 1.00 65.35 H new ATOM 0 HG2 ARG A 17 -0.789 -16.308 14.083 1.00 14.54 H new ATOM 0 HG3 ARG A 17 0.217 -17.068 12.866 1.00 14.54 H new ATOM 0 HD2 ARG A 17 1.292 -15.030 13.723 1.00 1.44 H new ATOM 0 HD3 ARG A 17 0.921 -14.860 12.018 1.00 1.44 H new ATOM 0 HE ARG A 17 -1.301 -13.772 13.264 1.00 34.51 H new ATOM 0 HH11 ARG A 17 2.138 -13.275 13.616 1.00 0.44 H new ATOM 0 HH12 ARG A 17 1.952 -11.552 13.959 1.00 0.44 H new ATOM 0 HH21 ARG A 17 -1.508 -11.615 13.674 1.00 64.31 H new ATOM 0 HH22 ARG A 17 -0.077 -10.629 13.991 1.00 64.31 H new ATOM 275 N GLY A 18 -4.822 -17.675 11.688 1.00 0.34 N ATOM 276 CA GLY A 18 -6.085 -17.509 10.964 1.00 14.11 C ATOM 277 C GLY A 18 -6.798 -16.203 11.304 1.00 1.15 C ATOM 278 O GLY A 18 -7.846 -16.204 11.960 1.00 13.52 O ATOM 0 H GLY A 18 -4.898 -18.195 12.562 1.00 0.34 H new ATOM 0 HA2 GLY A 18 -5.890 -17.542 9.892 1.00 14.11 H new ATOM 0 HA3 GLY A 18 -6.743 -18.347 11.195 1.00 14.11 H new ATOM 282 N GLU A 19 -6.235 -15.090 10.843 1.00 43.21 N ATOM 283 CA GLU A 19 -6.742 -13.751 11.179 1.00 52.13 C ATOM 284 C GLU A 19 -6.840 -12.846 9.938 1.00 54.13 C ATOM 285 O GLU A 19 -5.954 -12.857 9.085 1.00 53.41 O ATOM 286 CB GLU A 19 -5.814 -13.108 12.218 1.00 40.53 C ATOM 287 CG GLU A 19 -4.349 -13.098 11.792 1.00 20.10 C ATOM 288 CD GLU A 19 -3.433 -12.486 12.833 1.00 23.43 C ATOM 289 OE1 GLU A 19 -3.040 -13.193 13.781 1.00 1.23 O ATOM 290 OE2 GLU A 19 -3.079 -11.297 12.701 1.00 11.41 O ATOM 0 H GLU A 19 -5.420 -15.083 10.230 1.00 43.21 H new ATOM 0 HA GLU A 19 -7.748 -13.861 11.585 1.00 52.13 H new ATOM 0 HB2 GLU A 19 -6.139 -12.084 12.401 1.00 40.53 H new ATOM 0 HB3 GLU A 19 -5.908 -13.646 13.161 1.00 40.53 H new ATOM 0 HG2 GLU A 19 -4.028 -14.120 11.590 1.00 20.10 H new ATOM 0 HG3 GLU A 19 -4.252 -12.543 10.859 1.00 20.10 H new ATOM 297 N ALA A 20 -7.922 -12.063 9.859 1.00 44.00 N ATOM 298 CA ALA A 20 -8.147 -11.122 8.747 1.00 43.32 C ATOM 299 C ALA A 20 -9.477 -10.368 8.902 1.00 44.24 C ATOM 300 O ALA A 20 -10.478 -10.939 9.344 1.00 71.53 O ATOM 301 CB ALA A 20 -8.123 -11.849 7.406 1.00 72.14 C ATOM 0 H ALA A 20 -8.665 -12.061 10.558 1.00 44.00 H new ATOM 0 HA ALA A 20 -7.335 -10.395 8.775 1.00 43.32 H new ATOM 0 HB1 ALA A 20 -8.291 -11.133 6.601 1.00 72.14 H new ATOM 0 HB2 ALA A 20 -7.153 -12.328 7.269 1.00 72.14 H new ATOM 0 HB3 ALA A 20 -8.907 -12.606 7.388 1.00 72.14 H new ATOM 307 N GLY A 21 -9.481 -9.085 8.534 1.00 13.51 N ATOM 308 CA GLY A 21 -10.700 -8.280 8.597 1.00 62.33 C ATOM 309 C GLY A 21 -11.356 -8.069 7.229 1.00 63.00 C ATOM 310 O GLY A 21 -12.451 -8.577 6.968 1.00 1.33 O ATOM 0 H GLY A 21 -8.660 -8.585 8.192 1.00 13.51 H new ATOM 0 HA2 GLY A 21 -11.413 -8.764 9.264 1.00 62.33 H new ATOM 0 HA3 GLY A 21 -10.464 -7.309 9.033 1.00 62.33 H new ATOM 314 N SER A 22 -10.686 -7.321 6.351 1.00 32.44 N ATOM 315 CA SER A 22 -11.220 -7.008 5.011 1.00 65.02 C ATOM 316 C SER A 22 -10.408 -7.700 3.902 1.00 34.14 C ATOM 317 O SER A 22 -9.336 -8.252 4.157 1.00 13.25 O ATOM 318 CB SER A 22 -11.202 -5.487 4.782 1.00 65.11 C ATOM 319 OG SER A 22 -11.817 -4.790 5.857 1.00 4.43 O ATOM 0 H SER A 22 -9.769 -6.916 6.538 1.00 32.44 H new ATOM 0 HA SER A 22 -12.244 -7.380 4.967 1.00 65.02 H new ATOM 0 HB2 SER A 22 -10.172 -5.147 4.669 1.00 65.11 H new ATOM 0 HB3 SER A 22 -11.719 -5.252 3.852 1.00 65.11 H new ATOM 0 HG SER A 22 -11.214 -4.783 6.630 1.00 4.43 H new ATOM 325 N ARG A 23 -10.917 -7.648 2.668 1.00 41.41 N ATOM 326 CA ARG A 23 -10.253 -8.283 1.520 1.00 21.42 C ATOM 327 C ARG A 23 -8.815 -7.764 1.330 1.00 43.55 C ATOM 328 O ARG A 23 -7.874 -8.547 1.235 1.00 12.30 O ATOM 329 CB ARG A 23 -11.054 -8.043 0.231 1.00 3.34 C ATOM 330 CG ARG A 23 -10.487 -8.775 -0.985 1.00 33.31 C ATOM 331 CD ARG A 23 -11.131 -8.312 -2.287 1.00 42.24 C ATOM 332 NE ARG A 23 -12.573 -8.546 -2.324 1.00 32.42 N ATOM 333 CZ ARG A 23 -13.372 -8.028 -3.217 1.00 63.13 C ATOM 334 NH1 ARG A 23 -12.909 -7.242 -4.139 1.00 61.45 N ATOM 335 NH2 ARG A 23 -14.633 -8.306 -3.191 1.00 1.10 N ATOM 0 H ARG A 23 -11.789 -7.172 2.435 1.00 41.41 H new ATOM 0 HA ARG A 23 -10.207 -9.352 1.730 1.00 21.42 H new ATOM 0 HB2 ARG A 23 -12.085 -8.361 0.389 1.00 3.34 H new ATOM 0 HB3 ARG A 23 -11.079 -6.973 0.022 1.00 3.34 H new ATOM 0 HG2 ARG A 23 -9.410 -8.612 -1.036 1.00 33.31 H new ATOM 0 HG3 ARG A 23 -10.642 -9.847 -0.866 1.00 33.31 H new ATOM 0 HD2 ARG A 23 -10.937 -7.248 -2.424 1.00 42.24 H new ATOM 0 HD3 ARG A 23 -10.662 -8.831 -3.123 1.00 42.24 H new ATOM 0 HE ARG A 23 -12.979 -9.150 -1.610 1.00 32.42 H new ATOM 0 HH11 ARG A 23 -11.913 -7.024 -4.170 1.00 61.45 H new ATOM 0 HH12 ARG A 23 -13.541 -6.842 -4.833 1.00 61.45 H new ATOM 0 HH21 ARG A 23 -15.003 -8.929 -2.473 1.00 1.10 H new ATOM 0 HH22 ARG A 23 -15.259 -7.902 -3.888 1.00 1.10 H new ATOM 349 N ASP A 24 -8.648 -6.441 1.273 1.00 11.44 N ATOM 350 CA ASP A 24 -7.323 -5.838 1.076 1.00 51.12 C ATOM 351 C ASP A 24 -6.331 -6.238 2.183 1.00 12.44 C ATOM 352 O ASP A 24 -5.122 -6.301 1.954 1.00 44.05 O ATOM 353 CB ASP A 24 -7.450 -4.317 0.983 1.00 62.41 C ATOM 354 CG ASP A 24 -8.228 -3.906 -0.253 1.00 1.33 C ATOM 355 OD1 ASP A 24 -7.617 -3.798 -1.337 1.00 30.21 O ATOM 356 OD2 ASP A 24 -9.463 -3.735 -0.155 1.00 54.42 O ATOM 0 H ASP A 24 -9.409 -5.767 1.360 1.00 11.44 H new ATOM 0 HA ASP A 24 -6.920 -6.222 0.139 1.00 51.12 H new ATOM 0 HB2 ASP A 24 -7.950 -3.936 1.874 1.00 62.41 H new ATOM 0 HB3 ASP A 24 -6.457 -3.867 0.957 1.00 62.41 H new ATOM 361 N GLU A 25 -6.846 -6.529 3.373 1.00 30.45 N ATOM 362 CA GLU A 25 -6.004 -6.985 4.486 1.00 33.35 C ATOM 363 C GLU A 25 -5.455 -8.401 4.223 1.00 40.45 C ATOM 364 O GLU A 25 -4.393 -8.769 4.725 1.00 32.25 O ATOM 365 CB GLU A 25 -6.796 -6.936 5.804 1.00 15.04 C ATOM 366 CG GLU A 25 -7.207 -5.521 6.213 1.00 54.34 C ATOM 367 CD GLU A 25 -8.020 -5.481 7.500 1.00 40.21 C ATOM 368 OE1 GLU A 25 -7.437 -5.656 8.583 1.00 72.42 O ATOM 369 OE2 GLU A 25 -9.250 -5.278 7.427 1.00 51.01 O ATOM 0 H GLU A 25 -7.839 -6.459 3.597 1.00 30.45 H new ATOM 0 HA GLU A 25 -5.150 -6.313 4.570 1.00 33.35 H new ATOM 0 HB2 GLU A 25 -7.690 -7.552 5.705 1.00 15.04 H new ATOM 0 HB3 GLU A 25 -6.193 -7.375 6.598 1.00 15.04 H new ATOM 0 HG2 GLU A 25 -6.312 -4.911 6.337 1.00 54.34 H new ATOM 0 HG3 GLU A 25 -7.790 -5.072 5.409 1.00 54.34 H new ATOM 376 N ARG A 26 -6.172 -9.184 3.414 1.00 1.52 N ATOM 377 CA ARG A 26 -5.696 -10.511 2.994 1.00 30.14 C ATOM 378 C ARG A 26 -4.381 -10.408 2.203 1.00 41.34 C ATOM 379 O ARG A 26 -3.460 -11.199 2.406 1.00 14.44 O ATOM 380 CB ARG A 26 -6.752 -11.218 2.135 1.00 61.01 C ATOM 381 CG ARG A 26 -7.985 -11.674 2.907 1.00 23.21 C ATOM 382 CD ARG A 26 -7.657 -12.805 3.879 1.00 15.11 C ATOM 383 NE ARG A 26 -8.849 -13.331 4.542 1.00 22.55 N ATOM 384 CZ ARG A 26 -8.868 -14.416 5.273 1.00 63.25 C ATOM 385 NH1 ARG A 26 -7.810 -15.153 5.400 1.00 53.55 N ATOM 386 NH2 ARG A 26 -9.963 -14.769 5.861 1.00 52.22 N ATOM 0 H ARG A 26 -7.083 -8.926 3.035 1.00 1.52 H new ATOM 0 HA ARG A 26 -5.516 -11.093 3.898 1.00 30.14 H new ATOM 0 HB2 ARG A 26 -7.065 -10.544 1.338 1.00 61.01 H new ATOM 0 HB3 ARG A 26 -6.295 -12.085 1.658 1.00 61.01 H new ATOM 0 HG2 ARG A 26 -8.402 -10.831 3.457 1.00 23.21 H new ATOM 0 HG3 ARG A 26 -8.750 -12.007 2.206 1.00 23.21 H new ATOM 0 HD2 ARG A 26 -7.158 -13.611 3.340 1.00 15.11 H new ATOM 0 HD3 ARG A 26 -6.956 -12.443 4.631 1.00 15.11 H new ATOM 0 HE ARG A 26 -9.723 -12.818 4.427 1.00 22.55 H new ATOM 0 HH11 ARG A 26 -6.946 -14.890 4.926 1.00 53.55 H new ATOM 0 HH12 ARG A 26 -7.841 -15.996 5.974 1.00 53.55 H new ATOM 0 HH21 ARG A 26 -10.805 -14.203 5.754 1.00 52.22 H new ATOM 0 HH22 ARG A 26 -9.986 -15.614 6.432 1.00 52.22 H new ATOM 400 N ARG A 27 -4.304 -9.419 1.309 1.00 32.34 N ATOM 401 CA ARG A 27 -3.104 -9.206 0.486 1.00 72.05 C ATOM 402 C ARG A 27 -1.849 -9.022 1.357 1.00 1.54 C ATOM 403 O ARG A 27 -0.787 -9.576 1.061 1.00 30.11 O ATOM 404 CB ARG A 27 -3.275 -7.986 -0.442 1.00 73.12 C ATOM 405 CG ARG A 27 -4.233 -8.200 -1.618 1.00 53.21 C ATOM 406 CD ARG A 27 -5.697 -8.048 -1.223 1.00 73.12 C ATOM 407 NE ARG A 27 -6.593 -8.370 -2.331 1.00 52.54 N ATOM 408 CZ ARG A 27 -7.531 -7.584 -2.789 1.00 11.32 C ATOM 409 NH1 ARG A 27 -7.715 -6.399 -2.298 1.00 70.32 N ATOM 410 NH2 ARG A 27 -8.278 -7.989 -3.760 1.00 3.11 N ATOM 0 H ARG A 27 -5.056 -8.752 1.134 1.00 32.34 H new ATOM 0 HA ARG A 27 -2.974 -10.099 -0.125 1.00 72.05 H new ATOM 0 HB2 ARG A 27 -3.633 -7.144 0.151 1.00 73.12 H new ATOM 0 HB3 ARG A 27 -2.297 -7.707 -0.835 1.00 73.12 H new ATOM 0 HG2 ARG A 27 -3.998 -7.485 -2.407 1.00 53.21 H new ATOM 0 HG3 ARG A 27 -4.075 -9.195 -2.033 1.00 53.21 H new ATOM 0 HD2 ARG A 27 -5.915 -8.700 -0.377 1.00 73.12 H new ATOM 0 HD3 ARG A 27 -5.880 -7.026 -0.892 1.00 73.12 H new ATOM 0 HE ARG A 27 -6.478 -9.278 -2.782 1.00 52.54 H new ATOM 0 HH11 ARG A 27 -7.122 -6.064 -1.539 1.00 70.32 H new ATOM 0 HH12 ARG A 27 -8.453 -5.802 -2.670 1.00 70.32 H new ATOM 0 HH21 ARG A 27 -8.133 -8.915 -4.163 1.00 3.11 H new ATOM 0 HH22 ARG A 27 -9.013 -7.383 -4.125 1.00 3.11 H new ATOM 424 N ALA A 28 -1.986 -8.251 2.434 1.00 62.15 N ATOM 425 CA ALA A 28 -0.868 -7.964 3.336 1.00 61.21 C ATOM 426 C ALA A 28 -0.350 -9.233 4.032 1.00 31.45 C ATOM 427 O ALA A 28 0.822 -9.590 3.901 1.00 13.03 O ATOM 428 CB ALA A 28 -1.289 -6.925 4.372 1.00 73.35 C ATOM 0 H ALA A 28 -2.865 -7.811 2.706 1.00 62.15 H new ATOM 0 HA ALA A 28 -0.050 -7.567 2.735 1.00 61.21 H new ATOM 0 HB1 ALA A 28 -0.453 -6.717 5.039 1.00 73.35 H new ATOM 0 HB2 ALA A 28 -1.587 -6.007 3.866 1.00 73.35 H new ATOM 0 HB3 ALA A 28 -2.129 -7.309 4.952 1.00 73.35 H new ATOM 434 N LEU A 29 -1.234 -9.919 4.758 1.00 73.22 N ATOM 435 CA LEU A 29 -0.848 -11.113 5.523 1.00 1.23 C ATOM 436 C LEU A 29 -0.399 -12.273 4.610 1.00 73.53 C ATOM 437 O LEU A 29 0.487 -13.049 4.975 1.00 60.35 O ATOM 438 CB LEU A 29 -2.003 -11.547 6.450 1.00 25.24 C ATOM 439 CG LEU A 29 -3.363 -11.823 5.767 1.00 63.53 C ATOM 440 CD1 LEU A 29 -3.453 -13.258 5.245 1.00 55.31 C ATOM 441 CD2 LEU A 29 -4.515 -11.522 6.718 1.00 11.32 C ATOM 0 H LEU A 29 -2.221 -9.672 4.834 1.00 73.22 H new ATOM 0 HA LEU A 29 0.014 -10.849 6.135 1.00 1.23 H new ATOM 0 HB2 LEU A 29 -1.696 -12.449 6.979 1.00 25.24 H new ATOM 0 HB3 LEU A 29 -2.149 -10.771 7.201 1.00 25.24 H new ATOM 0 HG LEU A 29 -3.439 -11.156 4.908 1.00 63.53 H new ATOM 0 HD11 LEU A 29 -4.423 -13.413 4.772 1.00 55.31 H new ATOM 0 HD12 LEU A 29 -2.662 -13.430 4.515 1.00 55.31 H new ATOM 0 HD13 LEU A 29 -3.339 -13.955 6.075 1.00 55.31 H new ATOM 0 HD21 LEU A 29 -5.462 -11.723 6.217 1.00 11.32 H new ATOM 0 HD22 LEU A 29 -4.431 -12.153 7.603 1.00 11.32 H new ATOM 0 HD23 LEU A 29 -4.477 -10.474 7.015 1.00 11.32 H new ATOM 453 N ALA A 30 -0.999 -12.377 3.422 1.00 75.41 N ATOM 454 CA ALA A 30 -0.639 -13.429 2.460 1.00 31.04 C ATOM 455 C ALA A 30 0.801 -13.259 1.948 1.00 22.22 C ATOM 456 O ALA A 30 1.575 -14.217 1.906 1.00 32.25 O ATOM 457 CB ALA A 30 -1.621 -13.441 1.291 1.00 43.04 C ATOM 0 H ALA A 30 -1.735 -11.748 3.101 1.00 75.41 H new ATOM 0 HA ALA A 30 -0.696 -14.386 2.979 1.00 31.04 H new ATOM 0 HB1 ALA A 30 -1.340 -14.225 0.588 1.00 43.04 H new ATOM 0 HB2 ALA A 30 -2.628 -13.631 1.663 1.00 43.04 H new ATOM 0 HB3 ALA A 30 -1.597 -12.475 0.786 1.00 43.04 H new ATOM 463 N MET A 31 1.153 -12.033 1.566 1.00 35.25 N ATOM 464 CA MET A 31 2.510 -11.726 1.088 1.00 44.35 C ATOM 465 C MET A 31 3.445 -11.327 2.244 1.00 61.54 C ATOM 466 O MET A 31 4.598 -10.957 2.016 1.00 5.12 O ATOM 467 CB MET A 31 2.457 -10.610 0.035 1.00 24.15 C ATOM 468 CG MET A 31 1.697 -11.001 -1.226 1.00 2.23 C ATOM 469 SD MET A 31 2.521 -12.301 -2.173 1.00 34.24 S ATOM 470 CE MET A 31 3.979 -11.435 -2.752 1.00 74.32 C ATOM 0 H MET A 31 0.521 -11.232 1.576 1.00 35.25 H new ATOM 0 HA MET A 31 2.916 -12.630 0.635 1.00 44.35 H new ATOM 0 HB2 MET A 31 1.988 -9.729 0.474 1.00 24.15 H new ATOM 0 HB3 MET A 31 3.474 -10.328 -0.236 1.00 24.15 H new ATOM 0 HG2 MET A 31 0.697 -11.337 -0.951 1.00 2.23 H new ATOM 0 HG3 MET A 31 1.575 -10.121 -1.858 1.00 2.23 H new ATOM 0 HE1 MET A 31 4.426 -11.987 -3.579 1.00 74.32 H new ATOM 0 HE2 MET A 31 3.699 -10.438 -3.091 1.00 74.32 H new ATOM 0 HE3 MET A 31 4.700 -11.353 -1.939 1.00 74.32 H new ATOM 480 N LYS A 32 2.934 -11.403 3.479 1.00 23.12 N ATOM 481 CA LYS A 32 3.725 -11.125 4.688 1.00 11.35 C ATOM 482 C LYS A 32 4.250 -9.677 4.732 1.00 40.00 C ATOM 483 O LYS A 32 5.304 -9.411 5.316 1.00 23.33 O ATOM 484 CB LYS A 32 4.898 -12.124 4.802 1.00 40.32 C ATOM 485 CG LYS A 32 4.484 -13.587 5.016 1.00 50.43 C ATOM 486 CD LYS A 32 4.222 -13.927 6.493 1.00 72.34 C ATOM 487 CE LYS A 32 2.909 -13.347 7.020 1.00 32.03 C ATOM 488 NZ LYS A 32 2.675 -13.700 8.445 1.00 31.53 N ATOM 0 H LYS A 32 1.965 -11.658 3.670 1.00 23.12 H new ATOM 0 HA LYS A 32 3.058 -11.249 5.541 1.00 11.35 H new ATOM 0 HB2 LYS A 32 5.499 -12.061 3.895 1.00 40.32 H new ATOM 0 HB3 LYS A 32 5.537 -11.818 5.630 1.00 40.32 H new ATOM 0 HG2 LYS A 32 3.584 -13.793 4.436 1.00 50.43 H new ATOM 0 HG3 LYS A 32 5.267 -14.241 4.632 1.00 50.43 H new ATOM 0 HD2 LYS A 32 4.207 -15.010 6.613 1.00 72.34 H new ATOM 0 HD3 LYS A 32 5.047 -13.550 7.098 1.00 72.34 H new ATOM 0 HE2 LYS A 32 2.923 -12.262 6.913 1.00 32.03 H new ATOM 0 HE3 LYS A 32 2.081 -13.716 6.415 1.00 32.03 H new ATOM 0 HZ1 LYS A 32 1.775 -13.287 8.762 1.00 31.53 H new ATOM 0 HZ2 LYS A 32 2.635 -14.734 8.544 1.00 31.53 H new ATOM 0 HZ3 LYS A 32 3.451 -13.326 9.027 1.00 31.53 H new ATOM 502 N ILE A 33 3.492 -8.746 4.146 1.00 75.53 N ATOM 503 CA ILE A 33 3.859 -7.320 4.141 1.00 75.44 C ATOM 504 C ILE A 33 4.033 -6.782 5.579 1.00 1.43 C ATOM 505 O ILE A 33 3.078 -6.753 6.355 1.00 60.00 O ATOM 506 CB ILE A 33 2.789 -6.470 3.401 1.00 53.41 C ATOM 507 CG1 ILE A 33 2.608 -6.966 1.953 1.00 63.13 C ATOM 508 CG2 ILE A 33 3.154 -4.986 3.420 1.00 42.20 C ATOM 509 CD1 ILE A 33 3.855 -6.851 1.098 1.00 54.33 C ATOM 0 H ILE A 33 2.616 -8.952 3.666 1.00 75.53 H new ATOM 0 HA ILE A 33 4.809 -7.236 3.614 1.00 75.44 H new ATOM 0 HB ILE A 33 1.842 -6.589 3.928 1.00 53.41 H new ATOM 0 HG12 ILE A 33 2.290 -8.008 1.975 1.00 63.13 H new ATOM 0 HG13 ILE A 33 1.805 -6.398 1.484 1.00 63.13 H new ATOM 0 HG21 ILE A 33 2.387 -4.416 2.895 1.00 42.20 H new ATOM 0 HG22 ILE A 33 3.220 -4.641 4.452 1.00 42.20 H new ATOM 0 HG23 ILE A 33 4.115 -4.841 2.927 1.00 42.20 H new ATOM 0 HD11 ILE A 33 3.644 -7.221 0.095 1.00 54.33 H new ATOM 0 HD12 ILE A 33 4.163 -5.807 1.043 1.00 54.33 H new ATOM 0 HD13 ILE A 33 4.656 -7.443 1.541 1.00 54.33 H new ATOM 521 N PRO A 34 5.253 -6.331 5.949 1.00 50.21 N ATOM 522 CA PRO A 34 5.580 -5.937 7.341 1.00 22.22 C ATOM 523 C PRO A 34 4.949 -4.602 7.804 1.00 61.25 C ATOM 524 O PRO A 34 5.334 -4.061 8.846 1.00 41.03 O ATOM 525 CB PRO A 34 7.111 -5.822 7.305 1.00 1.50 C ATOM 526 CG PRO A 34 7.419 -5.440 5.898 1.00 33.45 C ATOM 527 CD PRO A 34 6.417 -6.178 5.049 1.00 73.40 C ATOM 0 HA PRO A 34 5.183 -6.660 8.054 1.00 22.22 H new ATOM 0 HB2 PRO A 34 7.470 -5.071 8.009 1.00 1.50 H new ATOM 0 HB3 PRO A 34 7.587 -6.765 7.574 1.00 1.50 H new ATOM 0 HG2 PRO A 34 7.334 -4.363 5.757 1.00 33.45 H new ATOM 0 HG3 PRO A 34 8.439 -5.717 5.631 1.00 33.45 H new ATOM 0 HD2 PRO A 34 6.160 -5.616 4.151 1.00 73.40 H new ATOM 0 HD3 PRO A 34 6.802 -7.144 4.721 1.00 73.40 H new ATOM 535 N PHE A 35 3.987 -4.078 7.047 1.00 30.14 N ATOM 536 CA PHE A 35 3.300 -2.828 7.416 1.00 50.33 C ATOM 537 C PHE A 35 1.818 -2.852 6.994 1.00 12.32 C ATOM 538 O PHE A 35 1.454 -3.490 6.005 1.00 1.43 O ATOM 539 CB PHE A 35 4.034 -1.609 6.821 1.00 44.45 C ATOM 540 CG PHE A 35 4.310 -1.700 5.342 1.00 61.51 C ATOM 541 CD1 PHE A 35 5.459 -2.324 4.879 1.00 23.23 C ATOM 542 CD2 PHE A 35 3.433 -1.154 4.417 1.00 25.22 C ATOM 543 CE1 PHE A 35 5.724 -2.404 3.526 1.00 61.13 C ATOM 544 CE2 PHE A 35 3.694 -1.231 3.064 1.00 73.21 C ATOM 545 CZ PHE A 35 4.840 -1.855 2.619 1.00 4.35 C ATOM 0 H PHE A 35 3.661 -4.494 6.174 1.00 30.14 H new ATOM 0 HA PHE A 35 3.323 -2.740 8.502 1.00 50.33 H new ATOM 0 HB2 PHE A 35 3.439 -0.716 7.011 1.00 44.45 H new ATOM 0 HB3 PHE A 35 4.980 -1.480 7.346 1.00 44.45 H new ATOM 0 HD1 PHE A 35 6.155 -2.752 5.585 1.00 23.23 H new ATOM 0 HD2 PHE A 35 2.535 -0.662 4.760 1.00 25.22 H new ATOM 0 HE1 PHE A 35 6.621 -2.895 3.178 1.00 61.13 H new ATOM 0 HE2 PHE A 35 3.001 -0.803 2.355 1.00 73.21 H new ATOM 0 HZ PHE A 35 5.046 -1.914 1.561 1.00 4.35 H new ATOM 555 N PRO A 36 0.941 -2.158 7.753 1.00 44.03 N ATOM 556 CA PRO A 36 -0.519 -2.231 7.557 1.00 2.40 C ATOM 557 C PRO A 36 -1.033 -1.460 6.327 1.00 25.42 C ATOM 558 O PRO A 36 -0.418 -0.494 5.869 1.00 64.43 O ATOM 559 CB PRO A 36 -1.064 -1.608 8.846 1.00 42.14 C ATOM 560 CG PRO A 36 -0.019 -0.626 9.251 1.00 1.32 C ATOM 561 CD PRO A 36 1.299 -1.245 8.862 1.00 61.13 C ATOM 0 HA PRO A 36 -0.841 -3.255 7.369 1.00 2.40 H new ATOM 0 HB2 PRO A 36 -2.024 -1.120 8.677 1.00 42.14 H new ATOM 0 HB3 PRO A 36 -1.221 -2.362 9.617 1.00 42.14 H new ATOM 0 HG2 PRO A 36 -0.165 0.330 8.749 1.00 1.32 H new ATOM 0 HG3 PRO A 36 -0.059 -0.432 10.323 1.00 1.32 H new ATOM 0 HD2 PRO A 36 2.018 -0.490 8.544 1.00 61.13 H new ATOM 0 HD3 PRO A 36 1.750 -1.784 9.695 1.00 61.13 H new ATOM 569 N THR A 37 -2.193 -1.890 5.821 1.00 50.12 N ATOM 570 CA THR A 37 -2.821 -1.284 4.634 1.00 63.04 C ATOM 571 C THR A 37 -3.289 0.154 4.895 1.00 73.14 C ATOM 572 O THR A 37 -3.137 1.031 4.042 1.00 31.43 O ATOM 573 CB THR A 37 -4.040 -2.114 4.165 1.00 60.31 C ATOM 574 OG1 THR A 37 -5.031 -2.157 5.205 1.00 72.23 O ATOM 575 CG2 THR A 37 -3.625 -3.536 3.796 1.00 3.12 C ATOM 0 H THR A 37 -2.725 -2.665 6.218 1.00 50.12 H new ATOM 0 HA THR A 37 -2.054 -1.272 3.860 1.00 63.04 H new ATOM 0 HB THR A 37 -4.457 -1.635 3.280 1.00 60.31 H new ATOM 0 HG1 THR A 37 -5.801 -2.682 4.902 1.00 72.23 H new ATOM 0 HG21 THR A 37 -4.500 -4.097 3.470 1.00 3.12 H new ATOM 0 HG22 THR A 37 -2.893 -3.504 2.989 1.00 3.12 H new ATOM 0 HG23 THR A 37 -3.184 -4.024 4.666 1.00 3.12 H new ATOM 583 N ASP A 38 -3.871 0.382 6.072 1.00 70.21 N ATOM 584 CA ASP A 38 -4.346 1.713 6.475 1.00 4.54 C ATOM 585 C ASP A 38 -3.261 2.788 6.291 1.00 11.14 C ATOM 586 O ASP A 38 -3.516 3.855 5.721 1.00 4.24 O ATOM 587 CB ASP A 38 -4.825 1.672 7.931 1.00 53.31 C ATOM 588 CG ASP A 38 -3.919 0.826 8.812 1.00 15.25 C ATOM 589 OD1 ASP A 38 -2.885 1.338 9.282 1.00 41.41 O ATOM 590 OD2 ASP A 38 -4.238 -0.367 9.021 1.00 14.35 O ATOM 0 H ASP A 38 -4.028 -0.343 6.772 1.00 70.21 H new ATOM 0 HA ASP A 38 -5.180 1.985 5.828 1.00 4.54 H new ATOM 0 HB2 ASP A 38 -4.868 2.687 8.326 1.00 53.31 H new ATOM 0 HB3 ASP A 38 -5.839 1.273 7.967 1.00 53.31 H new ATOM 595 N LYS A 39 -2.058 2.501 6.776 1.00 2.20 N ATOM 596 CA LYS A 39 -0.906 3.385 6.578 1.00 42.52 C ATOM 597 C LYS A 39 -0.689 3.687 5.086 1.00 34.24 C ATOM 598 O LYS A 39 -0.616 4.847 4.680 1.00 44.51 O ATOM 599 CB LYS A 39 0.354 2.734 7.164 1.00 35.21 C ATOM 600 CG LYS A 39 1.616 3.581 7.009 1.00 70.14 C ATOM 601 CD LYS A 39 2.864 2.833 7.468 1.00 11.44 C ATOM 602 CE LYS A 39 2.795 2.445 8.939 1.00 23.14 C ATOM 603 NZ LYS A 39 2.711 3.628 9.833 1.00 63.22 N ATOM 0 H LYS A 39 -1.851 1.659 7.313 1.00 2.20 H new ATOM 0 HA LYS A 39 -1.105 4.326 7.091 1.00 42.52 H new ATOM 0 HB2 LYS A 39 0.189 2.535 8.223 1.00 35.21 H new ATOM 0 HB3 LYS A 39 0.513 1.771 6.679 1.00 35.21 H new ATOM 0 HG2 LYS A 39 1.731 3.873 5.965 1.00 70.14 H new ATOM 0 HG3 LYS A 39 1.510 4.499 7.587 1.00 70.14 H new ATOM 0 HD2 LYS A 39 2.990 1.935 6.863 1.00 11.44 H new ATOM 0 HD3 LYS A 39 3.742 3.457 7.300 1.00 11.44 H new ATOM 0 HE2 LYS A 39 1.927 1.806 9.103 1.00 23.14 H new ATOM 0 HE3 LYS A 39 3.676 1.858 9.199 1.00 23.14 H new ATOM 0 HZ1 LYS A 39 2.803 3.322 10.823 1.00 63.22 H new ATOM 0 HZ2 LYS A 39 3.478 4.292 9.603 1.00 63.22 H new ATOM 0 HZ3 LYS A 39 1.794 4.099 9.700 1.00 63.22 H new ATOM 617 N ILE A 40 -0.614 2.624 4.281 1.00 32.34 N ATOM 618 CA ILE A 40 -0.360 2.732 2.836 1.00 3.41 C ATOM 619 C ILE A 40 -1.317 3.721 2.147 1.00 52.30 C ATOM 620 O ILE A 40 -0.916 4.482 1.266 1.00 3.10 O ATOM 621 CB ILE A 40 -0.501 1.348 2.145 1.00 62.05 C ATOM 622 CG1 ILE A 40 0.397 0.304 2.829 1.00 54.53 C ATOM 623 CG2 ILE A 40 -0.166 1.449 0.657 1.00 51.12 C ATOM 624 CD1 ILE A 40 0.230 -1.099 2.277 1.00 44.03 C ATOM 0 H ILE A 40 -0.727 1.665 4.609 1.00 32.34 H new ATOM 0 HA ILE A 40 0.660 3.103 2.733 1.00 3.41 H new ATOM 0 HB ILE A 40 -1.538 1.026 2.242 1.00 62.05 H new ATOM 0 HG12 ILE A 40 1.439 0.606 2.720 1.00 54.53 H new ATOM 0 HG13 ILE A 40 0.178 0.293 3.897 1.00 54.53 H new ATOM 0 HG21 ILE A 40 -0.271 0.468 0.193 1.00 51.12 H new ATOM 0 HG22 ILE A 40 -0.847 2.152 0.178 1.00 51.12 H new ATOM 0 HG23 ILE A 40 0.860 1.799 0.538 1.00 51.12 H new ATOM 0 HD11 ILE A 40 0.895 -1.780 2.808 1.00 44.03 H new ATOM 0 HD12 ILE A 40 -0.802 -1.422 2.410 1.00 44.03 H new ATOM 0 HD13 ILE A 40 0.477 -1.104 1.215 1.00 44.03 H new ATOM 636 N VAL A 41 -2.584 3.695 2.549 1.00 43.42 N ATOM 637 CA VAL A 41 -3.610 4.550 1.941 1.00 2.12 C ATOM 638 C VAL A 41 -3.494 6.017 2.393 1.00 1.41 C ATOM 639 O VAL A 41 -3.570 6.938 1.574 1.00 25.24 O ATOM 640 CB VAL A 41 -5.032 4.031 2.271 1.00 2.32 C ATOM 641 CG1 VAL A 41 -6.100 4.914 1.632 1.00 65.23 C ATOM 642 CG2 VAL A 41 -5.193 2.578 1.828 1.00 61.14 C ATOM 0 H VAL A 41 -2.930 3.091 3.295 1.00 43.42 H new ATOM 0 HA VAL A 41 -3.443 4.509 0.865 1.00 2.12 H new ATOM 0 HB VAL A 41 -5.164 4.075 3.352 1.00 2.32 H new ATOM 0 HG11 VAL A 41 -7.088 4.527 1.880 1.00 65.23 H new ATOM 0 HG12 VAL A 41 -6.004 5.932 2.009 1.00 65.23 H new ATOM 0 HG13 VAL A 41 -5.972 4.915 0.550 1.00 65.23 H new ATOM 0 HG21 VAL A 41 -6.199 2.233 2.069 1.00 61.14 H new ATOM 0 HG22 VAL A 41 -5.033 2.506 0.752 1.00 61.14 H new ATOM 0 HG23 VAL A 41 -4.463 1.957 2.346 1.00 61.14 H new ATOM 652 N ASN A 42 -3.305 6.231 3.694 1.00 61.45 N ATOM 653 CA ASN A 42 -3.280 7.588 4.257 1.00 45.24 C ATOM 654 C ASN A 42 -1.953 8.322 3.993 1.00 20.33 C ATOM 655 O ASN A 42 -1.896 9.552 4.086 1.00 52.03 O ATOM 656 CB ASN A 42 -3.579 7.556 5.763 1.00 1.00 C ATOM 657 CG ASN A 42 -5.031 7.212 6.055 1.00 13.35 C ATOM 658 OD1 ASN A 42 -5.890 8.086 6.129 1.00 43.30 O ATOM 659 ND2 ASN A 42 -5.320 5.940 6.226 1.00 72.13 N ATOM 0 H ASN A 42 -3.167 5.488 4.379 1.00 61.45 H new ATOM 0 HA ASN A 42 -4.061 8.150 3.745 1.00 45.24 H new ATOM 0 HB2 ASN A 42 -2.930 6.824 6.245 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -3.343 8.527 6.199 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -6.279 5.657 6.426 1.00 72.13 H new ATOM 0 HD22 ASN A 42 -4.585 5.236 6.158 1.00 72.13 H new ATOM 666 N LEU A 43 -0.888 7.586 3.677 1.00 75.35 N ATOM 667 CA LEU A 43 0.398 8.214 3.342 1.00 23.44 C ATOM 668 C LEU A 43 0.353 8.892 1.961 1.00 23.24 C ATOM 669 O LEU A 43 -0.094 8.297 0.976 1.00 71.54 O ATOM 670 CB LEU A 43 1.546 7.192 3.368 1.00 32.32 C ATOM 671 CG LEU A 43 1.922 6.630 4.750 1.00 71.11 C ATOM 672 CD1 LEU A 43 3.169 5.754 4.647 1.00 72.44 C ATOM 673 CD2 LEU A 43 2.136 7.752 5.765 1.00 24.13 C ATOM 0 H LEU A 43 -0.885 6.567 3.645 1.00 75.35 H new ATOM 0 HA LEU A 43 0.581 8.973 4.102 1.00 23.44 H new ATOM 0 HB2 LEU A 43 1.277 6.358 2.720 1.00 32.32 H new ATOM 0 HB3 LEU A 43 2.431 7.659 2.935 1.00 32.32 H new ATOM 0 HG LEU A 43 1.092 6.017 5.101 1.00 71.11 H new ATOM 0 HD11 LEU A 43 3.422 5.364 5.633 1.00 72.44 H new ATOM 0 HD12 LEU A 43 2.976 4.924 3.967 1.00 72.44 H new ATOM 0 HD13 LEU A 43 4.000 6.348 4.267 1.00 72.44 H new ATOM 0 HD21 LEU A 43 2.400 7.323 6.731 1.00 24.13 H new ATOM 0 HD22 LEU A 43 2.942 8.402 5.424 1.00 24.13 H new ATOM 0 HD23 LEU A 43 1.219 8.332 5.865 1.00 24.13 H new ATOM 685 N PRO A 44 0.808 10.156 1.868 1.00 21.45 N ATOM 686 CA PRO A 44 0.942 10.848 0.577 1.00 32.11 C ATOM 687 C PRO A 44 2.050 10.222 -0.291 1.00 23.51 C ATOM 688 O PRO A 44 2.887 9.467 0.209 1.00 11.01 O ATOM 689 CB PRO A 44 1.304 12.285 0.977 1.00 5.52 C ATOM 690 CG PRO A 44 1.921 12.163 2.329 1.00 50.23 C ATOM 691 CD PRO A 44 1.221 11.009 3.001 1.00 20.12 C ATOM 0 HA PRO A 44 0.036 10.786 -0.026 1.00 32.11 H new ATOM 0 HB2 PRO A 44 1.998 12.730 0.265 1.00 5.52 H new ATOM 0 HB3 PRO A 44 0.420 12.923 1.002 1.00 5.52 H new ATOM 0 HG2 PRO A 44 2.993 11.979 2.254 1.00 50.23 H new ATOM 0 HG3 PRO A 44 1.794 13.083 2.900 1.00 50.23 H new ATOM 0 HD2 PRO A 44 1.885 10.478 3.683 1.00 20.12 H new ATOM 0 HD3 PRO A 44 0.364 11.344 3.586 1.00 20.12 H new ATOM 699 N VAL A 45 2.063 10.548 -1.585 1.00 74.44 N ATOM 700 CA VAL A 45 3.025 9.947 -2.529 1.00 31.22 C ATOM 701 C VAL A 45 4.481 10.032 -2.016 1.00 22.23 C ATOM 702 O VAL A 45 5.264 9.100 -2.196 1.00 41.44 O ATOM 703 CB VAL A 45 2.917 10.594 -3.937 1.00 11.04 C ATOM 704 CG1 VAL A 45 3.176 12.099 -3.876 1.00 72.13 C ATOM 705 CG2 VAL A 45 3.863 9.916 -4.929 1.00 73.43 C ATOM 0 H VAL A 45 1.424 11.221 -2.008 1.00 74.44 H new ATOM 0 HA VAL A 45 2.761 8.892 -2.607 1.00 31.22 H new ATOM 0 HB VAL A 45 1.897 10.445 -4.291 1.00 11.04 H new ATOM 0 HG11 VAL A 45 3.093 12.523 -4.877 1.00 72.13 H new ATOM 0 HG12 VAL A 45 2.442 12.568 -3.221 1.00 72.13 H new ATOM 0 HG13 VAL A 45 4.178 12.280 -3.487 1.00 72.13 H new ATOM 0 HG21 VAL A 45 3.766 10.389 -5.906 1.00 73.43 H new ATOM 0 HG22 VAL A 45 4.890 10.015 -4.578 1.00 73.43 H new ATOM 0 HG23 VAL A 45 3.608 8.859 -5.011 1.00 73.43 H new ATOM 715 N ASP A 46 4.825 11.140 -1.360 1.00 12.34 N ATOM 716 CA ASP A 46 6.161 11.317 -0.773 1.00 24.11 C ATOM 717 C ASP A 46 6.484 10.208 0.248 1.00 41.34 C ATOM 718 O ASP A 46 7.388 9.395 0.035 1.00 63.14 O ATOM 719 CB ASP A 46 6.250 12.692 -0.101 1.00 53.33 C ATOM 720 CG ASP A 46 6.044 13.827 -1.083 1.00 1.35 C ATOM 721 OD1 ASP A 46 4.894 14.032 -1.528 1.00 23.15 O ATOM 722 OD2 ASP A 46 7.028 14.515 -1.426 1.00 14.54 O ATOM 0 H ASP A 46 4.198 11.932 -1.219 1.00 12.34 H new ATOM 0 HA ASP A 46 6.895 11.252 -1.576 1.00 24.11 H new ATOM 0 HB2 ASP A 46 5.501 12.757 0.688 1.00 53.33 H new ATOM 0 HB3 ASP A 46 7.225 12.799 0.375 1.00 53.33 H new ATOM 727 N ASP A 47 5.718 10.158 1.340 1.00 21.11 N ATOM 728 CA ASP A 47 5.922 9.146 2.384 1.00 11.34 C ATOM 729 C ASP A 47 5.748 7.717 1.837 1.00 13.02 C ATOM 730 O ASP A 47 6.353 6.777 2.345 1.00 4.14 O ATOM 731 CB ASP A 47 4.955 9.382 3.546 1.00 15.44 C ATOM 732 CG ASP A 47 5.237 10.683 4.274 1.00 11.30 C ATOM 733 OD1 ASP A 47 6.041 10.674 5.231 1.00 40.25 O ATOM 734 OD2 ASP A 47 4.660 11.722 3.898 1.00 33.03 O ATOM 0 H ASP A 47 4.951 10.805 1.526 1.00 21.11 H new ATOM 0 HA ASP A 47 6.948 9.244 2.740 1.00 11.34 H new ATOM 0 HB2 ASP A 47 3.933 9.394 3.168 1.00 15.44 H new ATOM 0 HB3 ASP A 47 5.026 8.552 4.249 1.00 15.44 H new ATOM 739 N PHE A 48 4.924 7.568 0.798 1.00 51.31 N ATOM 740 CA PHE A 48 4.695 6.262 0.163 1.00 34.43 C ATOM 741 C PHE A 48 5.996 5.680 -0.415 1.00 35.11 C ATOM 742 O PHE A 48 6.416 4.578 -0.051 1.00 3.32 O ATOM 743 CB PHE A 48 3.637 6.395 -0.944 1.00 32.53 C ATOM 744 CG PHE A 48 3.342 5.101 -1.669 1.00 3.20 C ATOM 745 CD1 PHE A 48 2.489 4.159 -1.113 1.00 62.31 C ATOM 746 CD2 PHE A 48 3.920 4.831 -2.902 1.00 52.24 C ATOM 747 CE1 PHE A 48 2.220 2.976 -1.773 1.00 31.55 C ATOM 748 CE2 PHE A 48 3.651 3.648 -3.565 1.00 44.23 C ATOM 749 CZ PHE A 48 2.801 2.719 -2.999 1.00 53.12 C ATOM 0 H PHE A 48 4.402 8.335 0.375 1.00 51.31 H new ATOM 0 HA PHE A 48 4.334 5.575 0.928 1.00 34.43 H new ATOM 0 HB2 PHE A 48 2.713 6.774 -0.506 1.00 32.53 H new ATOM 0 HB3 PHE A 48 3.974 7.137 -1.668 1.00 32.53 H new ATOM 0 HD1 PHE A 48 2.031 4.353 -0.154 1.00 62.31 H new ATOM 0 HD2 PHE A 48 4.587 5.553 -3.348 1.00 52.24 H new ATOM 0 HE1 PHE A 48 1.554 2.251 -1.329 1.00 31.55 H new ATOM 0 HE2 PHE A 48 4.105 3.451 -4.525 1.00 44.23 H new ATOM 0 HZ PHE A 48 2.591 1.793 -3.514 1.00 53.12 H new ATOM 759 N ASN A 49 6.632 6.427 -1.318 1.00 71.40 N ATOM 760 CA ASN A 49 7.883 5.975 -1.947 1.00 31.33 C ATOM 761 C ASN A 49 9.015 5.822 -0.917 1.00 52.11 C ATOM 762 O ASN A 49 9.876 4.947 -1.054 1.00 44.05 O ATOM 763 CB ASN A 49 8.309 6.935 -3.064 1.00 34.50 C ATOM 764 CG ASN A 49 7.364 6.892 -4.254 1.00 73.31 C ATOM 765 OD1 ASN A 49 7.522 6.084 -5.164 1.00 45.04 O ATOM 766 ND2 ASN A 49 6.382 7.766 -4.271 1.00 55.05 N ATOM 0 H ASN A 49 6.308 7.342 -1.632 1.00 71.40 H new ATOM 0 HA ASN A 49 7.690 4.994 -2.381 1.00 31.33 H new ATOM 0 HB2 ASN A 49 8.349 7.951 -2.671 1.00 34.50 H new ATOM 0 HB3 ASN A 49 9.316 6.681 -3.394 1.00 34.50 H new ATOM 0 HD21 ASN A 49 5.728 7.784 -5.054 1.00 55.05 H new ATOM 0 HD22 ASN A 49 6.274 8.426 -3.501 1.00 55.05 H new ATOM 773 N GLU A 50 9.024 6.679 0.102 1.00 21.14 N ATOM 774 CA GLU A 50 9.984 6.557 1.207 1.00 71.44 C ATOM 775 C GLU A 50 9.689 5.319 2.078 1.00 3.43 C ATOM 776 O GLU A 50 10.606 4.661 2.567 1.00 71.31 O ATOM 777 CB GLU A 50 9.985 7.838 2.063 1.00 11.32 C ATOM 778 CG GLU A 50 10.975 8.907 1.593 1.00 10.42 C ATOM 779 CD GLU A 50 10.714 9.423 0.181 1.00 12.53 C ATOM 780 OE1 GLU A 50 11.125 8.754 -0.794 1.00 41.34 O ATOM 781 OE2 GLU A 50 10.123 10.515 0.039 1.00 23.35 O ATOM 0 H GLU A 50 8.380 7.465 0.189 1.00 21.14 H new ATOM 0 HA GLU A 50 10.976 6.426 0.775 1.00 71.44 H new ATOM 0 HB2 GLU A 50 8.981 8.263 2.062 1.00 11.32 H new ATOM 0 HB3 GLU A 50 10.217 7.572 3.094 1.00 11.32 H new ATOM 0 HG2 GLU A 50 10.942 9.747 2.287 1.00 10.42 H new ATOM 0 HG3 GLU A 50 11.984 8.497 1.637 1.00 10.42 H new ATOM 788 N LEU A 51 8.407 4.998 2.253 1.00 74.52 N ATOM 789 CA LEU A 51 7.995 3.799 3.001 1.00 23.15 C ATOM 790 C LEU A 51 8.580 2.527 2.366 1.00 31.44 C ATOM 791 O LEU A 51 9.059 1.628 3.063 1.00 51.43 O ATOM 792 CB LEU A 51 6.462 3.701 3.039 1.00 53.43 C ATOM 793 CG LEU A 51 5.887 2.522 3.844 1.00 12.02 C ATOM 794 CD1 LEU A 51 6.214 2.667 5.328 1.00 50.44 C ATOM 795 CD2 LEU A 51 4.378 2.410 3.637 1.00 42.24 C ATOM 0 H LEU A 51 7.631 5.550 1.888 1.00 74.52 H new ATOM 0 HA LEU A 51 8.378 3.886 4.018 1.00 23.15 H new ATOM 0 HB2 LEU A 51 6.068 4.628 3.456 1.00 53.43 H new ATOM 0 HB3 LEU A 51 6.096 3.630 2.015 1.00 53.43 H new ATOM 0 HG LEU A 51 6.352 1.606 3.479 1.00 12.02 H new ATOM 0 HD11 LEU A 51 5.797 1.822 5.877 1.00 50.44 H new ATOM 0 HD12 LEU A 51 7.296 2.689 5.462 1.00 50.44 H new ATOM 0 HD13 LEU A 51 5.783 3.594 5.707 1.00 50.44 H new ATOM 0 HD21 LEU A 51 3.993 1.570 4.215 1.00 42.24 H new ATOM 0 HD22 LEU A 51 3.896 3.330 3.968 1.00 42.24 H new ATOM 0 HD23 LEU A 51 4.167 2.250 2.580 1.00 42.24 H new ATOM 807 N LEU A 52 8.538 2.468 1.036 1.00 42.01 N ATOM 808 CA LEU A 52 9.097 1.336 0.281 1.00 74.35 C ATOM 809 C LEU A 52 10.624 1.228 0.455 1.00 65.12 C ATOM 810 O LEU A 52 11.215 0.175 0.214 1.00 35.12 O ATOM 811 CB LEU A 52 8.746 1.476 -1.208 1.00 15.43 C ATOM 812 CG LEU A 52 7.238 1.523 -1.525 1.00 71.13 C ATOM 813 CD1 LEU A 52 7.001 1.670 -3.028 1.00 0.22 C ATOM 814 CD2 LEU A 52 6.529 0.278 -0.982 1.00 71.20 C ATOM 0 H LEU A 52 8.121 3.193 0.452 1.00 42.01 H new ATOM 0 HA LEU A 52 8.655 0.422 0.678 1.00 74.35 H new ATOM 0 HB2 LEU A 52 9.210 2.385 -1.590 1.00 15.43 H new ATOM 0 HB3 LEU A 52 9.189 0.640 -1.749 1.00 15.43 H new ATOM 0 HG LEU A 52 6.816 2.397 -1.030 1.00 71.13 H new ATOM 0 HD11 LEU A 52 5.930 1.701 -3.226 1.00 0.22 H new ATOM 0 HD12 LEU A 52 7.462 2.593 -3.380 1.00 0.22 H new ATOM 0 HD13 LEU A 52 7.442 0.821 -3.551 1.00 0.22 H new ATOM 0 HD21 LEU A 52 5.466 0.333 -1.217 1.00 71.20 H new ATOM 0 HD22 LEU A 52 6.957 -0.613 -1.441 1.00 71.20 H new ATOM 0 HD23 LEU A 52 6.659 0.228 0.099 1.00 71.20 H new ATOM 826 N ALA A 53 11.254 2.327 0.864 1.00 51.41 N ATOM 827 CA ALA A 53 12.702 2.353 1.115 1.00 51.13 C ATOM 828 C ALA A 53 13.040 1.967 2.569 1.00 63.02 C ATOM 829 O ALA A 53 14.212 1.909 2.951 1.00 24.00 O ATOM 830 CB ALA A 53 13.259 3.734 0.787 1.00 40.44 C ATOM 0 H ALA A 53 10.786 3.218 1.031 1.00 51.41 H new ATOM 0 HA ALA A 53 13.168 1.611 0.467 1.00 51.13 H new ATOM 0 HB1 ALA A 53 14.333 3.747 0.975 1.00 40.44 H new ATOM 0 HB2 ALA A 53 13.071 3.962 -0.262 1.00 40.44 H new ATOM 0 HB3 ALA A 53 12.772 4.481 1.413 1.00 40.44 H new ATOM 836 N ARG A 54 12.011 1.712 3.377 1.00 31.43 N ATOM 837 CA ARG A 54 12.197 1.333 4.785 1.00 73.32 C ATOM 838 C ARG A 54 12.175 -0.192 4.972 1.00 53.52 C ATOM 839 O ARG A 54 13.118 -0.781 5.501 1.00 32.22 O ATOM 840 CB ARG A 54 11.095 1.952 5.655 1.00 74.33 C ATOM 841 CG ARG A 54 11.017 3.471 5.589 1.00 10.01 C ATOM 842 CD ARG A 54 9.896 3.997 6.475 1.00 52.42 C ATOM 843 NE ARG A 54 9.730 5.441 6.361 1.00 40.13 N ATOM 844 CZ ARG A 54 8.737 6.102 6.880 1.00 31.12 C ATOM 845 NH1 ARG A 54 7.838 5.489 7.584 1.00 12.44 N ATOM 846 NH2 ARG A 54 8.661 7.382 6.715 1.00 22.45 N ATOM 0 H ARG A 54 11.035 1.760 3.083 1.00 31.43 H new ATOM 0 HA ARG A 54 13.173 1.709 5.091 1.00 73.32 H new ATOM 0 HB2 ARG A 54 10.134 1.538 5.351 1.00 74.33 H new ATOM 0 HB3 ARG A 54 11.257 1.654 6.691 1.00 74.33 H new ATOM 0 HG2 ARG A 54 11.967 3.902 5.904 1.00 10.01 H new ATOM 0 HG3 ARG A 54 10.850 3.786 4.559 1.00 10.01 H new ATOM 0 HD2 ARG A 54 8.962 3.504 6.206 1.00 52.42 H new ATOM 0 HD3 ARG A 54 10.105 3.739 7.513 1.00 52.42 H new ATOM 0 HE ARG A 54 10.435 5.965 5.843 1.00 40.13 H new ATOM 0 HH11 ARG A 54 7.907 4.482 7.734 1.00 12.44 H new ATOM 0 HH12 ARG A 54 7.062 6.013 7.988 1.00 12.44 H new ATOM 0 HH21 ARG A 54 9.378 7.871 6.179 1.00 22.45 H new ATOM 0 HH22 ARG A 54 7.884 7.903 7.121 1.00 22.45 H new ATOM 860 N TYR A 55 11.086 -0.819 4.535 1.00 64.03 N ATOM 861 CA TYR A 55 10.866 -2.255 4.762 1.00 25.43 C ATOM 862 C TYR A 55 11.345 -3.101 3.573 1.00 43.23 C ATOM 863 O TYR A 55 11.265 -2.667 2.423 1.00 31.23 O ATOM 864 CB TYR A 55 9.379 -2.511 5.028 1.00 15.44 C ATOM 865 CG TYR A 55 8.863 -1.808 6.268 1.00 1.11 C ATOM 866 CD1 TYR A 55 9.001 -2.385 7.525 1.00 32.21 C ATOM 867 CD2 TYR A 55 8.249 -0.562 6.185 1.00 44.31 C ATOM 868 CE1 TYR A 55 8.546 -1.744 8.661 1.00 51.24 C ATOM 869 CE2 TYR A 55 7.790 0.084 7.315 1.00 20.23 C ATOM 870 CZ TYR A 55 7.940 -0.508 8.551 1.00 22.14 C ATOM 871 OH TYR A 55 7.487 0.140 9.679 1.00 23.11 O ATOM 0 H TYR A 55 10.336 -0.358 4.019 1.00 64.03 H new ATOM 0 HA TYR A 55 11.452 -2.553 5.631 1.00 25.43 H new ATOM 0 HB2 TYR A 55 8.801 -2.182 4.165 1.00 15.44 H new ATOM 0 HB3 TYR A 55 9.215 -3.584 5.132 1.00 15.44 H new ATOM 0 HD1 TYR A 55 9.473 -3.352 7.615 1.00 32.21 H new ATOM 0 HD2 TYR A 55 8.130 -0.092 5.220 1.00 44.31 H new ATOM 0 HE1 TYR A 55 8.664 -2.207 9.630 1.00 51.24 H new ATOM 0 HE2 TYR A 55 7.315 1.050 7.231 1.00 20.23 H new ATOM 0 HH TYR A 55 7.088 0.998 9.425 1.00 23.11 H new ATOM 881 N PRO A 56 11.857 -4.321 3.839 1.00 21.02 N ATOM 882 CA PRO A 56 12.342 -5.224 2.783 1.00 61.01 C ATOM 883 C PRO A 56 11.203 -5.825 1.940 1.00 62.24 C ATOM 884 O PRO A 56 10.427 -6.656 2.418 1.00 34.10 O ATOM 885 CB PRO A 56 13.079 -6.319 3.571 1.00 51.12 C ATOM 886 CG PRO A 56 12.409 -6.338 4.904 1.00 70.21 C ATOM 887 CD PRO A 56 12.009 -4.912 5.188 1.00 34.43 C ATOM 0 HA PRO A 56 12.969 -4.704 2.058 1.00 61.01 H new ATOM 0 HB2 PRO A 56 13.001 -7.286 3.074 1.00 51.12 H new ATOM 0 HB3 PRO A 56 14.141 -6.094 3.664 1.00 51.12 H new ATOM 0 HG2 PRO A 56 11.538 -6.993 4.894 1.00 70.21 H new ATOM 0 HG3 PRO A 56 13.082 -6.715 5.674 1.00 70.21 H new ATOM 0 HD2 PRO A 56 11.080 -4.861 5.756 1.00 34.43 H new ATOM 0 HD3 PRO A 56 12.768 -4.391 5.771 1.00 34.43 H new ATOM 895 N LEU A 57 11.096 -5.385 0.687 1.00 0.31 N ATOM 896 CA LEU A 57 10.054 -5.876 -0.224 1.00 24.24 C ATOM 897 C LEU A 57 10.651 -6.312 -1.569 1.00 51.33 C ATOM 898 O LEU A 57 11.612 -5.718 -2.056 1.00 23.50 O ATOM 899 CB LEU A 57 9.004 -4.781 -0.472 1.00 11.33 C ATOM 900 CG LEU A 57 8.271 -4.259 0.772 1.00 43.31 C ATOM 901 CD1 LEU A 57 7.334 -3.114 0.399 1.00 40.24 C ATOM 902 CD2 LEU A 57 7.497 -5.383 1.458 1.00 52.42 C ATOM 0 H LEU A 57 11.717 -4.688 0.276 1.00 0.31 H new ATOM 0 HA LEU A 57 9.584 -6.739 0.248 1.00 24.24 H new ATOM 0 HB2 LEU A 57 9.494 -3.939 -0.961 1.00 11.33 H new ATOM 0 HB3 LEU A 57 8.262 -5.168 -1.171 1.00 11.33 H new ATOM 0 HG LEU A 57 9.016 -3.882 1.473 1.00 43.31 H new ATOM 0 HD11 LEU A 57 6.823 -2.756 1.293 1.00 40.24 H new ATOM 0 HD12 LEU A 57 7.911 -2.300 -0.039 1.00 40.24 H new ATOM 0 HD13 LEU A 57 6.598 -3.467 -0.323 1.00 40.24 H new ATOM 0 HD21 LEU A 57 6.986 -4.989 2.337 1.00 52.42 H new ATOM 0 HD22 LEU A 57 6.763 -5.795 0.765 1.00 52.42 H new ATOM 0 HD23 LEU A 57 8.189 -6.168 1.762 1.00 52.42 H new ATOM 914 N THR A 58 10.077 -7.354 -2.161 1.00 71.34 N ATOM 915 CA THR A 58 10.468 -7.799 -3.507 1.00 54.32 C ATOM 916 C THR A 58 9.657 -7.062 -4.581 1.00 74.11 C ATOM 917 O THR A 58 8.585 -6.527 -4.293 1.00 13.34 O ATOM 918 CB THR A 58 10.259 -9.323 -3.689 1.00 33.22 C ATOM 919 OG1 THR A 58 8.858 -9.639 -3.686 1.00 72.03 O ATOM 920 CG2 THR A 58 10.959 -10.110 -2.582 1.00 43.30 C ATOM 0 H THR A 58 9.337 -7.912 -1.734 1.00 71.34 H new ATOM 0 HA THR A 58 11.528 -7.570 -3.619 1.00 54.32 H new ATOM 0 HB THR A 58 10.693 -9.606 -4.648 1.00 33.22 H new ATOM 0 HG1 THR A 58 8.740 -10.605 -3.803 1.00 72.03 H new ATOM 0 HG21 THR A 58 10.796 -11.177 -2.735 1.00 43.30 H new ATOM 0 HG22 THR A 58 12.028 -9.900 -2.606 1.00 43.30 H new ATOM 0 HG23 THR A 58 10.553 -9.816 -1.614 1.00 43.30 H new ATOM 928 N GLU A 59 10.157 -7.047 -5.820 1.00 4.23 N ATOM 929 CA GLU A 59 9.483 -6.347 -6.933 1.00 21.41 C ATOM 930 C GLU A 59 7.983 -6.692 -7.016 1.00 74.53 C ATOM 931 O GLU A 59 7.163 -5.849 -7.385 1.00 4.31 O ATOM 932 CB GLU A 59 10.169 -6.663 -8.275 1.00 22.53 C ATOM 933 CG GLU A 59 11.511 -5.957 -8.479 1.00 23.25 C ATOM 934 CD GLU A 59 12.554 -6.327 -7.436 1.00 3.21 C ATOM 935 OE1 GLU A 59 13.219 -7.373 -7.596 1.00 4.45 O ATOM 936 OE2 GLU A 59 12.711 -5.582 -6.451 1.00 62.41 O ATOM 0 H GLU A 59 11.027 -7.510 -6.084 1.00 4.23 H new ATOM 0 HA GLU A 59 9.568 -5.279 -6.730 1.00 21.41 H new ATOM 0 HB2 GLU A 59 10.324 -7.740 -8.346 1.00 22.53 H new ATOM 0 HB3 GLU A 59 9.498 -6.384 -9.087 1.00 22.53 H new ATOM 0 HG2 GLU A 59 11.895 -6.203 -9.469 1.00 23.25 H new ATOM 0 HG3 GLU A 59 11.353 -4.879 -8.457 1.00 23.25 H new ATOM 943 N SER A 60 7.634 -7.930 -6.673 1.00 35.14 N ATOM 944 CA SER A 60 6.227 -8.353 -6.632 1.00 60.21 C ATOM 945 C SER A 60 5.472 -7.655 -5.491 1.00 30.42 C ATOM 946 O SER A 60 4.332 -7.216 -5.660 1.00 1.13 O ATOM 947 CB SER A 60 6.121 -9.874 -6.461 1.00 24.54 C ATOM 948 OG SER A 60 4.762 -10.290 -6.414 1.00 42.12 O ATOM 0 H SER A 60 8.300 -8.659 -6.419 1.00 35.14 H new ATOM 0 HA SER A 60 5.772 -8.067 -7.580 1.00 60.21 H new ATOM 0 HB2 SER A 60 6.629 -10.372 -7.287 1.00 24.54 H new ATOM 0 HB3 SER A 60 6.629 -10.177 -5.545 1.00 24.54 H new ATOM 0 HG SER A 60 4.721 -11.263 -6.306 1.00 42.12 H new ATOM 954 N GLN A 61 6.119 -7.538 -4.330 1.00 15.43 N ATOM 955 CA GLN A 61 5.499 -6.914 -3.157 1.00 1.15 C ATOM 956 C GLN A 61 5.245 -5.409 -3.376 1.00 61.42 C ATOM 957 O GLN A 61 4.178 -4.907 -3.024 1.00 30.11 O ATOM 958 CB GLN A 61 6.361 -7.138 -1.904 1.00 74.01 C ATOM 959 CG GLN A 61 6.481 -8.607 -1.496 1.00 53.22 C ATOM 960 CD GLN A 61 7.369 -8.815 -0.278 1.00 42.11 C ATOM 961 OE1 GLN A 61 8.575 -8.995 -0.396 1.00 31.32 O ATOM 962 NE2 GLN A 61 6.780 -8.815 0.900 1.00 71.32 N ATOM 0 H GLN A 61 7.072 -7.867 -4.176 1.00 15.43 H new ATOM 0 HA GLN A 61 4.531 -7.392 -3.007 1.00 1.15 H new ATOM 0 HB2 GLN A 61 7.359 -6.737 -2.083 1.00 74.01 H new ATOM 0 HB3 GLN A 61 5.935 -6.573 -1.075 1.00 74.01 H new ATOM 0 HG2 GLN A 61 5.487 -9.002 -1.286 1.00 53.22 H new ATOM 0 HG3 GLN A 61 6.881 -9.179 -2.333 1.00 53.22 H new ATOM 0 HE21 GLN A 61 5.774 -8.662 0.967 1.00 71.32 H new ATOM 0 HE22 GLN A 61 7.330 -8.968 1.745 1.00 71.32 H new ATOM 971 N LEU A 62 6.214 -4.694 -3.965 1.00 43.31 N ATOM 972 CA LEU A 62 6.032 -3.259 -4.259 1.00 52.20 C ATOM 973 C LEU A 62 4.810 -3.027 -5.163 1.00 15.30 C ATOM 974 O LEU A 62 4.069 -2.057 -4.987 1.00 32.35 O ATOM 975 CB LEU A 62 7.279 -2.635 -4.916 1.00 13.31 C ATOM 976 CG LEU A 62 8.496 -2.414 -3.994 1.00 50.31 C ATOM 977 CD1 LEU A 62 9.248 -3.715 -3.757 1.00 35.30 C ATOM 978 CD2 LEU A 62 9.427 -1.348 -4.570 1.00 13.32 C ATOM 0 H LEU A 62 7.118 -5.074 -4.245 1.00 43.31 H new ATOM 0 HA LEU A 62 5.870 -2.768 -3.299 1.00 52.20 H new ATOM 0 HB2 LEU A 62 7.587 -3.275 -5.743 1.00 13.31 H new ATOM 0 HB3 LEU A 62 6.995 -1.674 -5.345 1.00 13.31 H new ATOM 0 HG LEU A 62 8.126 -2.060 -3.032 1.00 50.31 H new ATOM 0 HD11 LEU A 62 10.101 -3.529 -3.104 1.00 35.30 H new ATOM 0 HD12 LEU A 62 8.583 -4.440 -3.287 1.00 35.30 H new ATOM 0 HD13 LEU A 62 9.600 -4.110 -4.710 1.00 35.30 H new ATOM 0 HD21 LEU A 62 10.278 -1.209 -3.903 1.00 13.32 H new ATOM 0 HD22 LEU A 62 9.782 -1.666 -5.550 1.00 13.32 H new ATOM 0 HD23 LEU A 62 8.886 -0.407 -4.668 1.00 13.32 H new ATOM 990 N ALA A 63 4.609 -3.923 -6.130 1.00 32.44 N ATOM 991 CA ALA A 63 3.441 -3.861 -7.013 1.00 12.34 C ATOM 992 C ALA A 63 2.136 -3.970 -6.207 1.00 0.13 C ATOM 993 O ALA A 63 1.209 -3.175 -6.387 1.00 3.11 O ATOM 994 CB ALA A 63 3.515 -4.967 -8.062 1.00 1.34 C ATOM 0 H ALA A 63 5.240 -4.701 -6.323 1.00 32.44 H new ATOM 0 HA ALA A 63 3.445 -2.896 -7.519 1.00 12.34 H new ATOM 0 HB1 ALA A 63 2.642 -4.911 -8.712 1.00 1.34 H new ATOM 0 HB2 ALA A 63 4.420 -4.844 -8.658 1.00 1.34 H new ATOM 0 HB3 ALA A 63 3.536 -5.938 -7.566 1.00 1.34 H new ATOM 1000 N LEU A 64 2.087 -4.947 -5.302 1.00 11.14 N ATOM 1001 CA LEU A 64 0.919 -5.150 -4.441 1.00 60.52 C ATOM 1002 C LEU A 64 0.627 -3.916 -3.568 1.00 23.11 C ATOM 1003 O LEU A 64 -0.527 -3.506 -3.417 1.00 63.33 O ATOM 1004 CB LEU A 64 1.133 -6.368 -3.537 1.00 4.32 C ATOM 1005 CG LEU A 64 -0.051 -6.699 -2.612 1.00 71.00 C ATOM 1006 CD1 LEU A 64 -1.265 -7.131 -3.430 1.00 53.13 C ATOM 1007 CD2 LEU A 64 0.336 -7.771 -1.600 1.00 13.05 C ATOM 0 H LEU A 64 2.844 -5.613 -5.145 1.00 11.14 H new ATOM 0 HA LEU A 64 0.062 -5.316 -5.094 1.00 60.52 H new ATOM 0 HB2 LEU A 64 1.341 -7.236 -4.163 1.00 4.32 H new ATOM 0 HB3 LEU A 64 2.018 -6.197 -2.924 1.00 4.32 H new ATOM 0 HG LEU A 64 -0.317 -5.798 -2.059 1.00 71.00 H new ATOM 0 HD11 LEU A 64 -2.093 -7.361 -2.759 1.00 53.13 H new ATOM 0 HD12 LEU A 64 -1.557 -6.324 -4.102 1.00 53.13 H new ATOM 0 HD13 LEU A 64 -1.014 -8.017 -4.014 1.00 53.13 H new ATOM 0 HD21 LEU A 64 -0.517 -7.989 -0.957 1.00 13.05 H new ATOM 0 HD22 LEU A 64 0.634 -8.678 -2.126 1.00 13.05 H new ATOM 0 HD23 LEU A 64 1.167 -7.414 -0.992 1.00 13.05 H new ATOM 1019 N VAL A 65 1.676 -3.332 -2.989 1.00 63.13 N ATOM 1020 CA VAL A 65 1.530 -2.138 -2.147 1.00 32.02 C ATOM 1021 C VAL A 65 0.807 -1.011 -2.902 1.00 14.21 C ATOM 1022 O VAL A 65 -0.060 -0.334 -2.349 1.00 40.44 O ATOM 1023 CB VAL A 65 2.908 -1.629 -1.641 1.00 24.34 C ATOM 1024 CG1 VAL A 65 2.749 -0.375 -0.782 1.00 32.14 C ATOM 1025 CG2 VAL A 65 3.637 -2.727 -0.862 1.00 10.44 C ATOM 0 H VAL A 65 2.636 -3.663 -3.085 1.00 63.13 H new ATOM 0 HA VAL A 65 0.928 -2.427 -1.285 1.00 32.02 H new ATOM 0 HB VAL A 65 3.509 -1.367 -2.512 1.00 24.34 H new ATOM 0 HG11 VAL A 65 3.729 -0.041 -0.441 1.00 32.14 H new ATOM 0 HG12 VAL A 65 2.281 0.413 -1.372 1.00 32.14 H new ATOM 0 HG13 VAL A 65 2.123 -0.602 0.081 1.00 32.14 H new ATOM 0 HG21 VAL A 65 4.600 -2.350 -0.517 1.00 10.44 H new ATOM 0 HG22 VAL A 65 3.035 -3.025 -0.004 1.00 10.44 H new ATOM 0 HG23 VAL A 65 3.796 -3.589 -1.510 1.00 10.44 H new ATOM 1035 N ARG A 66 1.152 -0.829 -4.177 1.00 50.43 N ATOM 1036 CA ARG A 66 0.486 0.175 -5.018 1.00 11.21 C ATOM 1037 C ARG A 66 -0.965 -0.235 -5.329 1.00 20.33 C ATOM 1038 O ARG A 66 -1.865 0.606 -5.368 1.00 1.41 O ATOM 1039 CB ARG A 66 1.253 0.383 -6.328 1.00 42.23 C ATOM 1040 CG ARG A 66 2.730 0.714 -6.136 1.00 40.23 C ATOM 1041 CD ARG A 66 3.422 1.015 -7.464 1.00 12.04 C ATOM 1042 NE ARG A 66 3.109 0.010 -8.481 1.00 51.12 N ATOM 1043 CZ ARG A 66 3.982 -0.794 -9.030 1.00 51.44 C ATOM 1044 NH1 ARG A 66 5.227 -0.774 -8.667 1.00 5.53 N ATOM 1045 NH2 ARG A 66 3.599 -1.625 -9.943 1.00 70.24 N ATOM 0 H ARG A 66 1.884 -1.358 -4.651 1.00 50.43 H new ATOM 0 HA ARG A 66 0.473 1.111 -4.460 1.00 11.21 H new ATOM 0 HB2 ARG A 66 1.169 -0.519 -6.933 1.00 42.23 H new ATOM 0 HB3 ARG A 66 0.781 1.189 -6.890 1.00 42.23 H new ATOM 0 HG2 ARG A 66 2.826 1.574 -5.473 1.00 40.23 H new ATOM 0 HG3 ARG A 66 3.229 -0.123 -5.648 1.00 40.23 H new ATOM 0 HD2 ARG A 66 3.115 1.999 -7.819 1.00 12.04 H new ATOM 0 HD3 ARG A 66 4.501 1.054 -7.311 1.00 12.04 H new ATOM 0 HE ARG A 66 2.138 -0.069 -8.784 1.00 51.12 H new ATOM 0 HH11 ARG A 66 5.537 -0.125 -7.944 1.00 5.53 H new ATOM 0 HH12 ARG A 66 5.896 -1.407 -9.105 1.00 5.53 H new ATOM 0 HH21 ARG A 66 2.621 -1.651 -10.231 1.00 70.24 H new ATOM 0 HH22 ARG A 66 4.275 -2.255 -10.375 1.00 70.24 H new ATOM 1059 N ASP A 67 -1.173 -1.534 -5.557 1.00 32.44 N ATOM 1060 CA ASP A 67 -2.510 -2.089 -5.813 1.00 45.55 C ATOM 1061 C ASP A 67 -3.479 -1.768 -4.656 1.00 11.23 C ATOM 1062 O ASP A 67 -4.581 -1.251 -4.874 1.00 61.12 O ATOM 1063 CB ASP A 67 -2.397 -3.609 -6.032 1.00 43.44 C ATOM 1064 CG ASP A 67 -3.740 -4.296 -6.217 1.00 72.54 C ATOM 1065 OD1 ASP A 67 -4.456 -3.970 -7.190 1.00 14.33 O ATOM 1066 OD2 ASP A 67 -4.080 -5.176 -5.396 1.00 23.20 O ATOM 0 H ASP A 67 -0.427 -2.229 -5.570 1.00 32.44 H new ATOM 0 HA ASP A 67 -2.918 -1.627 -6.712 1.00 45.55 H new ATOM 0 HB2 ASP A 67 -1.778 -3.797 -6.909 1.00 43.44 H new ATOM 0 HB3 ASP A 67 -1.885 -4.054 -5.179 1.00 43.44 H new ATOM 1071 N ILE A 68 -3.052 -2.059 -3.427 1.00 43.54 N ATOM 1072 CA ILE A 68 -3.833 -1.720 -2.225 1.00 41.25 C ATOM 1073 C ILE A 68 -3.976 -0.193 -2.073 1.00 13.10 C ATOM 1074 O ILE A 68 -5.069 0.328 -1.819 1.00 25.34 O ATOM 1075 CB ILE A 68 -3.168 -2.298 -0.948 1.00 53.34 C ATOM 1076 CG1 ILE A 68 -3.000 -3.823 -1.072 1.00 0.31 C ATOM 1077 CG2 ILE A 68 -3.984 -1.943 0.295 1.00 54.14 C ATOM 1078 CD1 ILE A 68 -2.290 -4.459 0.105 1.00 0.22 C ATOM 0 H ILE A 68 -2.168 -2.530 -3.232 1.00 43.54 H new ATOM 0 HA ILE A 68 -4.822 -2.163 -2.346 1.00 41.25 H new ATOM 0 HB ILE A 68 -2.179 -1.851 -0.843 1.00 53.34 H new ATOM 0 HG12 ILE A 68 -3.984 -4.280 -1.180 1.00 0.31 H new ATOM 0 HG13 ILE A 68 -2.444 -4.045 -1.983 1.00 0.31 H new ATOM 0 HG21 ILE A 68 -3.500 -2.358 1.179 1.00 54.14 H new ATOM 0 HG22 ILE A 68 -4.047 -0.859 0.391 1.00 54.14 H new ATOM 0 HG23 ILE A 68 -4.988 -2.358 0.202 1.00 54.14 H new ATOM 0 HD11 ILE A 68 -2.210 -5.534 -0.056 1.00 0.22 H new ATOM 0 HD12 ILE A 68 -1.292 -4.031 0.202 1.00 0.22 H new ATOM 0 HD13 ILE A 68 -2.856 -4.270 1.017 1.00 0.22 H new ATOM 1090 N ARG A 69 -2.856 0.514 -2.240 1.00 51.44 N ATOM 1091 CA ARG A 69 -2.825 1.981 -2.178 1.00 55.02 C ATOM 1092 C ARG A 69 -3.853 2.607 -3.136 1.00 75.15 C ATOM 1093 O ARG A 69 -4.470 3.627 -2.819 1.00 40.11 O ATOM 1094 CB ARG A 69 -1.402 2.476 -2.507 1.00 14.42 C ATOM 1095 CG ARG A 69 -1.216 4.000 -2.554 1.00 63.24 C ATOM 1096 CD ARG A 69 -1.423 4.568 -3.960 1.00 13.14 C ATOM 1097 NE ARG A 69 -1.055 5.981 -4.050 1.00 34.04 N ATOM 1098 CZ ARG A 69 -0.981 6.655 -5.171 1.00 54.11 C ATOM 1099 NH1 ARG A 69 -1.247 6.090 -6.308 1.00 23.34 N ATOM 1100 NH2 ARG A 69 -0.631 7.899 -5.150 1.00 61.22 N ATOM 0 H ARG A 69 -1.947 0.089 -2.422 1.00 51.44 H new ATOM 0 HA ARG A 69 -3.093 2.292 -1.168 1.00 55.02 H new ATOM 0 HB2 ARG A 69 -0.716 2.068 -1.765 1.00 14.42 H new ATOM 0 HB3 ARG A 69 -1.109 2.064 -3.472 1.00 14.42 H new ATOM 0 HG2 ARG A 69 -1.919 4.471 -1.867 1.00 63.24 H new ATOM 0 HG3 ARG A 69 -0.214 4.252 -2.207 1.00 63.24 H new ATOM 0 HD2 ARG A 69 -0.829 3.995 -4.672 1.00 13.14 H new ATOM 0 HD3 ARG A 69 -2.468 4.448 -4.247 1.00 13.14 H new ATOM 0 HE ARG A 69 -0.842 6.474 -3.183 1.00 34.04 H new ATOM 0 HH11 ARG A 69 -1.518 5.107 -6.338 1.00 23.34 H new ATOM 0 HH12 ARG A 69 -1.185 6.629 -7.172 1.00 23.34 H new ATOM 0 HH21 ARG A 69 -0.414 8.353 -4.263 1.00 61.22 H new ATOM 0 HH22 ARG A 69 -0.572 8.427 -6.021 1.00 61.22 H new ATOM 1114 N ARG A 70 -4.039 1.993 -4.304 1.00 54.24 N ATOM 1115 CA ARG A 70 -4.960 2.532 -5.302 1.00 62.23 C ATOM 1116 C ARG A 70 -6.427 2.368 -4.871 1.00 74.55 C ATOM 1117 O ARG A 70 -7.186 3.328 -4.905 1.00 55.30 O ATOM 1118 CB ARG A 70 -4.731 1.880 -6.672 1.00 51.34 C ATOM 1119 CG ARG A 70 -5.493 2.578 -7.793 1.00 1.24 C ATOM 1120 CD ARG A 70 -5.182 1.985 -9.163 1.00 34.34 C ATOM 1121 NE ARG A 70 -5.776 2.773 -10.243 1.00 21.21 N ATOM 1122 CZ ARG A 70 -5.886 2.365 -11.480 1.00 1.31 C ATOM 1123 NH1 ARG A 70 -5.554 1.158 -11.808 1.00 24.33 N ATOM 1124 NH2 ARG A 70 -6.359 3.160 -12.381 1.00 32.31 N ATOM 0 H ARG A 70 -3.569 1.131 -4.580 1.00 54.24 H new ATOM 0 HA ARG A 70 -4.753 3.599 -5.386 1.00 62.23 H new ATOM 0 HB2 ARG A 70 -3.665 1.891 -6.901 1.00 51.34 H new ATOM 0 HB3 ARG A 70 -5.036 0.835 -6.627 1.00 51.34 H new ATOM 0 HG2 ARG A 70 -6.564 2.504 -7.602 1.00 1.24 H new ATOM 0 HG3 ARG A 70 -5.242 3.639 -7.794 1.00 1.24 H new ATOM 0 HD2 ARG A 70 -4.102 1.935 -9.301 1.00 34.34 H new ATOM 0 HD3 ARG A 70 -5.557 0.963 -9.210 1.00 34.34 H new ATOM 0 HE ARG A 70 -6.128 3.703 -10.016 1.00 21.21 H new ATOM 0 HH11 ARG A 70 -5.203 0.515 -11.098 1.00 24.33 H new ATOM 0 HH12 ARG A 70 -5.644 0.850 -12.776 1.00 24.33 H new ATOM 0 HH21 ARG A 70 -6.646 4.105 -12.127 1.00 32.31 H new ATOM 0 HH22 ARG A 70 -6.445 2.843 -13.347 1.00 32.31 H new ATOM 1138 N ARG A 71 -6.823 1.161 -4.448 1.00 24.43 N ATOM 1139 CA ARG A 71 -8.222 0.911 -4.045 1.00 3.41 C ATOM 1140 C ARG A 71 -8.655 1.827 -2.892 1.00 24.24 C ATOM 1141 O ARG A 71 -9.659 2.539 -2.991 1.00 64.21 O ATOM 1142 CB ARG A 71 -8.435 -0.552 -3.631 1.00 64.35 C ATOM 1143 CG ARG A 71 -8.249 -1.557 -4.760 1.00 43.20 C ATOM 1144 CD ARG A 71 -8.672 -2.959 -4.330 1.00 51.31 C ATOM 1145 NE ARG A 71 -8.254 -3.971 -5.292 1.00 73.34 N ATOM 1146 CZ ARG A 71 -7.113 -4.594 -5.226 1.00 62.13 C ATOM 1147 NH1 ARG A 71 -6.335 -4.431 -4.201 1.00 34.04 N ATOM 1148 NH2 ARG A 71 -6.760 -5.411 -6.158 1.00 43.15 N ATOM 0 H ARG A 71 -6.209 0.350 -4.375 1.00 24.43 H new ATOM 0 HA ARG A 71 -8.836 1.129 -4.918 1.00 3.41 H new ATOM 0 HB2 ARG A 71 -7.740 -0.794 -2.827 1.00 64.35 H new ATOM 0 HB3 ARG A 71 -9.441 -0.660 -3.227 1.00 64.35 H new ATOM 0 HG2 ARG A 71 -8.835 -1.247 -5.625 1.00 43.20 H new ATOM 0 HG3 ARG A 71 -7.204 -1.569 -5.070 1.00 43.20 H new ATOM 0 HD2 ARG A 71 -8.241 -3.185 -3.355 1.00 51.31 H new ATOM 0 HD3 ARG A 71 -9.755 -2.992 -4.215 1.00 51.31 H new ATOM 0 HE ARG A 71 -8.888 -4.203 -6.056 1.00 73.34 H new ATOM 0 HH11 ARG A 71 -6.616 -3.812 -3.441 1.00 34.04 H new ATOM 0 HH12 ARG A 71 -5.442 -4.922 -4.155 1.00 34.04 H new ATOM 0 HH21 ARG A 71 -7.376 -5.573 -6.954 1.00 43.15 H new ATOM 0 HH22 ARG A 71 -5.864 -5.895 -6.099 1.00 43.15 H new ATOM 1162 N GLY A 72 -7.892 1.804 -1.798 1.00 75.34 N ATOM 1163 CA GLY A 72 -8.223 2.619 -0.632 1.00 34.45 C ATOM 1164 C GLY A 72 -8.351 4.105 -0.957 1.00 25.32 C ATOM 1165 O GLY A 72 -9.180 4.809 -0.376 1.00 22.31 O ATOM 0 H GLY A 72 -7.051 1.236 -1.696 1.00 75.34 H new ATOM 0 HA2 GLY A 72 -9.160 2.265 -0.203 1.00 34.45 H new ATOM 0 HA3 GLY A 72 -7.454 2.484 0.128 1.00 34.45 H new ATOM 1169 N LYS A 73 -7.531 4.581 -1.888 1.00 74.02 N ATOM 1170 CA LYS A 73 -7.534 5.996 -2.282 1.00 71.42 C ATOM 1171 C LYS A 73 -8.503 6.262 -3.453 1.00 72.10 C ATOM 1172 O LYS A 73 -8.953 7.390 -3.653 1.00 73.05 O ATOM 1173 CB LYS A 73 -6.107 6.424 -2.656 1.00 2.53 C ATOM 1174 CG LYS A 73 -5.928 7.930 -2.842 1.00 55.24 C ATOM 1175 CD LYS A 73 -4.461 8.304 -3.043 1.00 62.10 C ATOM 1176 CE LYS A 73 -3.592 7.865 -1.867 1.00 64.04 C ATOM 1177 NZ LYS A 73 -4.011 8.499 -0.589 1.00 24.14 N ATOM 0 H LYS A 73 -6.851 4.009 -2.389 1.00 74.02 H new ATOM 0 HA LYS A 73 -7.884 6.587 -1.435 1.00 71.42 H new ATOM 0 HB2 LYS A 73 -5.423 6.082 -1.879 1.00 2.53 H new ATOM 0 HB3 LYS A 73 -5.819 5.920 -3.578 1.00 2.53 H new ATOM 0 HG2 LYS A 73 -6.509 8.262 -3.702 1.00 55.24 H new ATOM 0 HG3 LYS A 73 -6.321 8.454 -1.970 1.00 55.24 H new ATOM 0 HD2 LYS A 73 -4.092 7.843 -3.959 1.00 62.10 H new ATOM 0 HD3 LYS A 73 -4.377 9.383 -3.173 1.00 62.10 H new ATOM 0 HE2 LYS A 73 -3.642 6.781 -1.766 1.00 64.04 H new ATOM 0 HE3 LYS A 73 -2.552 8.118 -2.072 1.00 64.04 H new ATOM 0 HZ1 LYS A 73 -3.247 9.111 -0.238 1.00 24.14 H new ATOM 0 HZ2 LYS A 73 -4.866 9.069 -0.748 1.00 24.14 H new ATOM 0 HZ3 LYS A 73 -4.214 7.761 0.115 1.00 24.14 H new ATOM 1191 N ASN A 74 -8.836 5.213 -4.212 1.00 4.35 N ATOM 1192 CA ASN A 74 -9.758 5.327 -5.357 1.00 62.51 C ATOM 1193 C ASN A 74 -11.133 5.837 -4.904 1.00 43.50 C ATOM 1194 O ASN A 74 -11.785 6.612 -5.603 1.00 43.13 O ATOM 1195 CB ASN A 74 -9.899 3.964 -6.055 1.00 3.34 C ATOM 1196 CG ASN A 74 -10.755 4.020 -7.308 1.00 73.15 C ATOM 1197 OD1 ASN A 74 -11.968 3.833 -7.261 1.00 12.13 O ATOM 1198 ND2 ASN A 74 -10.132 4.277 -8.440 1.00 62.32 N ATOM 0 H ASN A 74 -8.481 4.269 -4.056 1.00 4.35 H new ATOM 0 HA ASN A 74 -9.344 6.048 -6.062 1.00 62.51 H new ATOM 0 HB2 ASN A 74 -8.908 3.592 -6.316 1.00 3.34 H new ATOM 0 HB3 ASN A 74 -10.334 3.249 -5.357 1.00 3.34 H new ATOM 0 HD21 ASN A 74 -10.658 4.326 -9.312 1.00 62.32 H new ATOM 0 HD22 ASN A 74 -9.123 4.427 -8.444 1.00 62.32 H new ATOM 1205 N LYS A 75 -11.553 5.395 -3.720 1.00 34.52 N ATOM 1206 CA LYS A 75 -12.812 5.842 -3.115 1.00 71.54 C ATOM 1207 C LYS A 75 -12.808 7.368 -2.914 1.00 14.20 C ATOM 1208 O LYS A 75 -13.762 8.065 -3.271 1.00 4.41 O ATOM 1209 CB LYS A 75 -13.012 5.132 -1.769 1.00 71.44 C ATOM 1210 CG LYS A 75 -14.388 5.344 -1.146 1.00 52.03 C ATOM 1211 CD LYS A 75 -15.496 4.746 -2.012 1.00 50.41 C ATOM 1212 CE LYS A 75 -16.842 4.769 -1.299 1.00 12.13 C ATOM 1213 NZ LYS A 75 -16.805 4.000 -0.027 1.00 13.20 N ATOM 0 H LYS A 75 -11.036 4.722 -3.154 1.00 34.52 H new ATOM 0 HA LYS A 75 -13.634 5.590 -3.785 1.00 71.54 H new ATOM 0 HB2 LYS A 75 -12.850 4.063 -1.908 1.00 71.44 H new ATOM 0 HB3 LYS A 75 -12.252 5.482 -1.070 1.00 71.44 H new ATOM 0 HG2 LYS A 75 -14.414 4.889 -0.156 1.00 52.03 H new ATOM 0 HG3 LYS A 75 -14.567 6.411 -1.011 1.00 52.03 H new ATOM 0 HD2 LYS A 75 -15.569 5.304 -2.946 1.00 50.41 H new ATOM 0 HD3 LYS A 75 -15.240 3.719 -2.273 1.00 50.41 H new ATOM 0 HE2 LYS A 75 -17.126 5.801 -1.092 1.00 12.13 H new ATOM 0 HE3 LYS A 75 -17.608 4.353 -1.954 1.00 12.13 H new ATOM 0 HZ1 LYS A 75 -17.775 3.763 0.264 1.00 13.20 H new ATOM 0 HZ2 LYS A 75 -16.262 3.124 -0.166 1.00 13.20 H new ATOM 0 HZ3 LYS A 75 -16.352 4.574 0.713 1.00 13.20 H new ATOM 1227 N VAL A 76 -11.712 7.877 -2.356 1.00 32.51 N ATOM 1228 CA VAL A 76 -11.543 9.316 -2.133 1.00 70.14 C ATOM 1229 C VAL A 76 -11.449 10.079 -3.466 1.00 5.32 C ATOM 1230 O VAL A 76 -12.045 11.143 -3.632 1.00 70.52 O ATOM 1231 CB VAL A 76 -10.280 9.611 -1.281 1.00 53.03 C ATOM 1232 CG1 VAL A 76 -10.134 11.110 -1.011 1.00 41.21 C ATOM 1233 CG2 VAL A 76 -10.326 8.824 0.028 1.00 24.22 C ATOM 0 H VAL A 76 -10.921 7.312 -2.047 1.00 32.51 H new ATOM 0 HA VAL A 76 -12.423 9.659 -1.589 1.00 70.14 H new ATOM 0 HB VAL A 76 -9.405 9.290 -1.847 1.00 53.03 H new ATOM 0 HG11 VAL A 76 -9.241 11.286 -0.412 1.00 41.21 H new ATOM 0 HG12 VAL A 76 -10.048 11.643 -1.958 1.00 41.21 H new ATOM 0 HG13 VAL A 76 -11.010 11.469 -0.471 1.00 41.21 H new ATOM 0 HG21 VAL A 76 -9.433 9.041 0.615 1.00 24.22 H new ATOM 0 HG22 VAL A 76 -11.212 9.112 0.595 1.00 24.22 H new ATOM 0 HG23 VAL A 76 -10.366 7.757 -0.190 1.00 24.22 H new ATOM 1243 N ALA A 77 -10.696 9.523 -4.415 1.00 71.05 N ATOM 1244 CA ALA A 77 -10.545 10.127 -5.744 1.00 72.54 C ATOM 1245 C ALA A 77 -11.885 10.193 -6.499 1.00 52.40 C ATOM 1246 O ALA A 77 -12.195 11.191 -7.146 1.00 3.42 O ATOM 1247 CB ALA A 77 -9.519 9.345 -6.559 1.00 23.25 C ATOM 0 H ALA A 77 -10.179 8.653 -4.290 1.00 71.05 H new ATOM 0 HA ALA A 77 -10.196 11.150 -5.606 1.00 72.54 H new ATOM 0 HB1 ALA A 77 -9.413 9.800 -7.544 1.00 23.25 H new ATOM 0 HB2 ALA A 77 -8.557 9.362 -6.046 1.00 23.25 H new ATOM 0 HB3 ALA A 77 -9.852 8.313 -6.670 1.00 23.25 H new ATOM 1253 N ALA A 78 -12.672 9.123 -6.399 1.00 62.04 N ATOM 1254 CA ALA A 78 -13.964 9.024 -7.091 1.00 3.00 C ATOM 1255 C ALA A 78 -14.933 10.148 -6.686 1.00 33.34 C ATOM 1256 O ALA A 78 -15.438 10.881 -7.538 1.00 2.55 O ATOM 1257 CB ALA A 78 -14.600 7.662 -6.821 1.00 12.12 C ATOM 0 H ALA A 78 -12.437 8.303 -5.840 1.00 62.04 H new ATOM 0 HA ALA A 78 -13.769 9.134 -8.158 1.00 3.00 H new ATOM 0 HB1 ALA A 78 -15.557 7.599 -7.338 1.00 12.12 H new ATOM 0 HB2 ALA A 78 -13.939 6.874 -7.182 1.00 12.12 H new ATOM 0 HB3 ALA A 78 -14.758 7.540 -5.749 1.00 12.12 H new ATOM 1263 N GLN A 79 -15.181 10.285 -5.381 1.00 73.34 N ATOM 1264 CA GLN A 79 -16.121 11.296 -4.863 1.00 44.04 C ATOM 1265 C GLN A 79 -15.707 12.736 -5.243 1.00 12.34 C ATOM 1266 O GLN A 79 -16.556 13.628 -5.339 1.00 72.12 O ATOM 1267 CB GLN A 79 -16.254 11.166 -3.335 1.00 3.41 C ATOM 1268 CG GLN A 79 -14.928 11.255 -2.591 1.00 23.31 C ATOM 1269 CD GLN A 79 -15.071 11.097 -1.086 1.00 42.12 C ATOM 1270 OE1 GLN A 79 -15.234 12.073 -0.357 1.00 3.05 O ATOM 1271 NE2 GLN A 79 -15.020 9.869 -0.610 1.00 14.31 N ATOM 0 H GLN A 79 -14.746 9.710 -4.659 1.00 73.34 H new ATOM 0 HA GLN A 79 -17.087 11.105 -5.330 1.00 44.04 H new ATOM 0 HB2 GLN A 79 -16.918 11.950 -2.970 1.00 3.41 H new ATOM 0 HB3 GLN A 79 -16.728 10.213 -3.101 1.00 3.41 H new ATOM 0 HG2 GLN A 79 -14.255 10.484 -2.968 1.00 23.31 H new ATOM 0 HG3 GLN A 79 -14.463 12.217 -2.806 1.00 23.31 H new ATOM 0 HE21 GLN A 79 -14.883 9.082 -1.244 1.00 14.31 H new ATOM 0 HE22 GLN A 79 -15.117 9.706 0.392 1.00 14.31 H new ATOM 1280 N ASN A 80 -14.407 12.950 -5.464 1.00 42.53 N ATOM 1281 CA ASN A 80 -13.886 14.277 -5.844 1.00 14.24 C ATOM 1282 C ASN A 80 -13.539 14.360 -7.343 1.00 42.04 C ATOM 1283 O ASN A 80 -13.075 15.397 -7.821 1.00 50.14 O ATOM 1284 CB ASN A 80 -12.647 14.630 -5.003 1.00 65.44 C ATOM 1285 CG ASN A 80 -12.971 14.781 -3.524 1.00 61.11 C ATOM 1286 OD1 ASN A 80 -13.331 15.857 -3.060 1.00 12.35 O ATOM 1287 ND2 ASN A 80 -12.833 13.710 -2.767 1.00 50.10 N ATOM 0 H ASN A 80 -13.693 12.226 -5.388 1.00 42.53 H new ATOM 0 HA ASN A 80 -14.679 14.998 -5.647 1.00 14.24 H new ATOM 0 HB2 ASN A 80 -11.893 13.853 -5.129 1.00 65.44 H new ATOM 0 HB3 ASN A 80 -12.213 15.559 -5.373 1.00 65.44 H new ATOM 0 HD21 ASN A 80 -13.028 13.764 -1.767 1.00 50.10 H new ATOM 0 HD22 ASN A 80 -12.532 12.828 -3.181 1.00 50.10 H new ATOM 1294 N TYR A 81 -13.767 13.275 -8.079 1.00 74.15 N ATOM 1295 CA TYR A 81 -13.476 13.238 -9.519 1.00 21.43 C ATOM 1296 C TYR A 81 -14.471 14.101 -10.318 1.00 10.31 C ATOM 1297 O TYR A 81 -15.680 14.025 -10.105 1.00 3.52 O ATOM 1298 CB TYR A 81 -13.508 11.788 -10.031 1.00 60.14 C ATOM 1299 CG TYR A 81 -13.175 11.644 -11.508 1.00 53.12 C ATOM 1300 CD1 TYR A 81 -11.859 11.726 -11.955 1.00 20.51 C ATOM 1301 CD2 TYR A 81 -14.171 11.426 -12.455 1.00 73.51 C ATOM 1302 CE1 TYR A 81 -11.549 11.597 -13.297 1.00 74.24 C ATOM 1303 CE2 TYR A 81 -13.866 11.296 -13.798 1.00 22.41 C ATOM 1304 CZ TYR A 81 -12.554 11.383 -14.214 1.00 51.12 C ATOM 1305 OH TYR A 81 -12.248 11.255 -15.552 1.00 25.32 O ATOM 0 H TYR A 81 -14.152 12.407 -7.706 1.00 74.15 H new ATOM 0 HA TYR A 81 -12.478 13.650 -9.667 1.00 21.43 H new ATOM 0 HB2 TYR A 81 -12.802 11.193 -9.451 1.00 60.14 H new ATOM 0 HB3 TYR A 81 -14.499 11.372 -9.851 1.00 60.14 H new ATOM 0 HD1 TYR A 81 -11.066 11.893 -11.241 1.00 20.51 H new ATOM 0 HD2 TYR A 81 -15.200 11.357 -12.136 1.00 73.51 H new ATOM 0 HE1 TYR A 81 -10.522 11.664 -13.625 1.00 74.24 H new ATOM 0 HE2 TYR A 81 -14.653 11.127 -14.518 1.00 22.41 H new ATOM 0 HH TYR A 81 -11.352 10.870 -15.647 1.00 25.32 H new ATOM 1315 N ARG A 82 -13.953 14.912 -11.242 1.00 54.22 N ATOM 1316 CA ARG A 82 -14.793 15.799 -12.061 1.00 24.34 C ATOM 1317 C ARG A 82 -14.036 16.290 -13.308 1.00 60.15 C ATOM 1318 O ARG A 82 -12.833 16.541 -13.260 1.00 30.40 O ATOM 1319 CB ARG A 82 -15.277 16.999 -11.216 1.00 4.52 C ATOM 1320 CG ARG A 82 -16.779 16.998 -10.936 1.00 61.15 C ATOM 1321 CD ARG A 82 -17.583 17.252 -12.204 1.00 2.54 C ATOM 1322 NE ARG A 82 -17.295 18.566 -12.776 1.00 24.32 N ATOM 1323 CZ ARG A 82 -17.564 18.912 -14.006 1.00 25.13 C ATOM 1324 NH1 ARG A 82 -18.069 18.058 -14.840 1.00 33.21 N ATOM 1325 NH2 ARG A 82 -17.311 20.112 -14.408 1.00 1.20 N ATOM 0 H ARG A 82 -12.955 14.976 -11.445 1.00 54.22 H new ATOM 0 HA ARG A 82 -15.659 15.230 -12.400 1.00 24.34 H new ATOM 0 HB2 ARG A 82 -14.741 17.001 -10.267 1.00 4.52 H new ATOM 0 HB3 ARG A 82 -15.015 17.923 -11.732 1.00 4.52 H new ATOM 0 HG2 ARG A 82 -17.069 16.040 -10.506 1.00 61.15 H new ATOM 0 HG3 ARG A 82 -17.013 17.764 -10.196 1.00 61.15 H new ATOM 0 HD2 ARG A 82 -17.357 16.479 -12.938 1.00 2.54 H new ATOM 0 HD3 ARG A 82 -18.647 17.178 -11.980 1.00 2.54 H new ATOM 0 HE ARG A 82 -16.854 19.260 -12.173 1.00 24.32 H new ATOM 0 HH11 ARG A 82 -18.261 17.103 -14.538 1.00 33.21 H new ATOM 0 HH12 ARG A 82 -18.275 18.341 -15.798 1.00 33.21 H new ATOM 0 HH21 ARG A 82 -16.901 20.789 -13.765 1.00 1.20 H new ATOM 0 HH22 ARG A 82 -17.521 20.383 -15.369 1.00 1.20 H new ATOM 1339 N LYS A 83 -14.748 16.416 -14.429 1.00 1.42 N ATOM 1340 CA LYS A 83 -14.142 16.896 -15.678 1.00 63.10 C ATOM 1341 C LYS A 83 -13.963 18.423 -15.679 1.00 70.42 C ATOM 1342 O LYS A 83 -14.888 19.169 -15.998 1.00 13.11 O ATOM 1343 CB LYS A 83 -14.987 16.475 -16.898 1.00 35.40 C ATOM 1344 CG LYS A 83 -14.643 15.102 -17.478 1.00 1.33 C ATOM 1345 CD LYS A 83 -14.871 13.964 -16.486 1.00 75.01 C ATOM 1346 CE LYS A 83 -14.667 12.603 -17.146 1.00 13.41 C ATOM 1347 NZ LYS A 83 -13.293 12.443 -17.696 1.00 45.10 N ATOM 0 H LYS A 83 -15.741 16.194 -14.501 1.00 1.42 H new ATOM 0 HA LYS A 83 -13.156 16.436 -15.747 1.00 63.10 H new ATOM 0 HB2 LYS A 83 -16.039 16.479 -16.612 1.00 35.40 H new ATOM 0 HB3 LYS A 83 -14.867 17.224 -17.681 1.00 35.40 H new ATOM 0 HG2 LYS A 83 -15.247 14.928 -18.368 1.00 1.33 H new ATOM 0 HG3 LYS A 83 -13.600 15.098 -17.795 1.00 1.33 H new ATOM 0 HD2 LYS A 83 -14.185 14.069 -15.645 1.00 75.01 H new ATOM 0 HD3 LYS A 83 -15.882 14.027 -16.083 1.00 75.01 H new ATOM 0 HE2 LYS A 83 -14.858 11.816 -16.417 1.00 13.41 H new ATOM 0 HE3 LYS A 83 -15.394 12.478 -17.948 1.00 13.41 H new ATOM 0 HZ1 LYS A 83 -13.350 12.176 -18.699 1.00 45.10 H new ATOM 0 HZ2 LYS A 83 -12.776 13.341 -17.606 1.00 45.10 H new ATOM 0 HZ3 LYS A 83 -12.792 11.700 -17.168 1.00 45.10 H new ATOM 1361 N ARG A 84 -12.768 18.886 -15.317 1.00 61.31 N ATOM 1362 CA ARG A 84 -12.414 20.304 -15.462 1.00 41.14 C ATOM 1363 C ARG A 84 -12.006 20.602 -16.916 1.00 63.30 C ATOM 1364 O ARG A 84 -10.891 21.049 -17.191 1.00 24.31 O ATOM 1365 CB ARG A 84 -11.279 20.691 -14.496 1.00 23.31 C ATOM 1366 CG ARG A 84 -11.710 20.813 -13.033 1.00 71.21 C ATOM 1367 CD ARG A 84 -12.042 19.464 -12.394 1.00 4.31 C ATOM 1368 NE ARG A 84 -12.627 19.628 -11.066 1.00 32.12 N ATOM 1369 CZ ARG A 84 -12.450 18.809 -10.065 1.00 20.51 C ATOM 1370 NH1 ARG A 84 -11.742 17.728 -10.198 1.00 41.32 N ATOM 1371 NH2 ARG A 84 -12.997 19.076 -8.925 1.00 41.20 N ATOM 0 H ARG A 84 -12.028 18.305 -14.922 1.00 61.31 H new ATOM 0 HA ARG A 84 -13.289 20.903 -15.211 1.00 41.14 H new ATOM 0 HB2 ARG A 84 -10.487 19.946 -14.568 1.00 23.31 H new ATOM 0 HB3 ARG A 84 -10.853 21.641 -14.817 1.00 23.31 H new ATOM 0 HG2 ARG A 84 -10.913 21.292 -12.464 1.00 71.21 H new ATOM 0 HG3 ARG A 84 -12.582 21.463 -12.970 1.00 71.21 H new ATOM 0 HD2 ARG A 84 -12.736 18.919 -13.033 1.00 4.31 H new ATOM 0 HD3 ARG A 84 -11.136 18.862 -12.321 1.00 4.31 H new ATOM 0 HE ARG A 84 -13.218 20.444 -10.909 1.00 32.12 H new ATOM 0 HH11 ARG A 84 -11.313 17.507 -11.096 1.00 41.32 H new ATOM 0 HH12 ARG A 84 -11.615 17.100 -9.404 1.00 41.32 H new ATOM 0 HH21 ARG A 84 -13.560 19.919 -8.815 1.00 41.20 H new ATOM 0 HH22 ARG A 84 -12.866 18.443 -8.136 1.00 41.20 H new ATOM 1385 N LYS A 85 -12.930 20.331 -17.839 1.00 44.24 N ATOM 1386 CA LYS A 85 -12.680 20.447 -19.280 1.00 3.41 C ATOM 1387 C LYS A 85 -11.480 19.600 -19.741 1.00 24.14 C ATOM 1388 O LYS A 85 -10.686 20.029 -20.581 1.00 35.32 O ATOM 1389 CB LYS A 85 -12.507 21.915 -19.696 1.00 70.12 C ATOM 1390 CG LYS A 85 -13.786 22.740 -19.559 1.00 64.14 C ATOM 1391 CD LYS A 85 -13.693 24.073 -20.303 1.00 65.14 C ATOM 1392 CE LYS A 85 -13.428 23.872 -21.795 1.00 34.22 C ATOM 1393 NZ LYS A 85 -14.474 23.041 -22.453 1.00 4.43 N ATOM 0 H LYS A 85 -13.875 20.024 -17.610 1.00 44.24 H new ATOM 0 HA LYS A 85 -13.561 20.048 -19.783 1.00 3.41 H new ATOM 0 HB2 LYS A 85 -11.725 22.368 -19.087 1.00 70.12 H new ATOM 0 HB3 LYS A 85 -12.168 21.954 -20.731 1.00 70.12 H new ATOM 0 HG2 LYS A 85 -14.629 22.168 -19.946 1.00 64.14 H new ATOM 0 HG3 LYS A 85 -13.985 22.927 -18.504 1.00 64.14 H new ATOM 0 HD2 LYS A 85 -14.621 24.629 -20.170 1.00 65.14 H new ATOM 0 HD3 LYS A 85 -12.895 24.676 -19.870 1.00 65.14 H new ATOM 0 HE2 LYS A 85 -13.378 24.844 -22.286 1.00 34.22 H new ATOM 0 HE3 LYS A 85 -12.455 23.398 -21.927 1.00 34.22 H new ATOM 0 HZ1 LYS A 85 -14.055 22.144 -22.771 1.00 4.43 H new ATOM 0 HZ2 LYS A 85 -15.239 22.845 -21.776 1.00 4.43 H new ATOM 0 HZ3 LYS A 85 -14.860 23.553 -23.272 1.00 4.43 H new ATOM 1407 N LEU A 86 -11.358 18.390 -19.193 1.00 12.14 N ATOM 1408 CA LEU A 86 -10.364 17.423 -19.680 1.00 60.21 C ATOM 1409 C LEU A 86 -10.819 16.829 -21.024 1.00 13.35 C ATOM 1410 O LEU A 86 -11.266 15.683 -21.094 1.00 21.40 O ATOM 1411 CB LEU A 86 -10.119 16.289 -18.659 1.00 53.13 C ATOM 1412 CG LEU A 86 -9.304 16.661 -17.403 1.00 74.12 C ATOM 1413 CD1 LEU A 86 -10.051 17.664 -16.536 1.00 61.20 C ATOM 1414 CD2 LEU A 86 -8.959 15.409 -16.597 1.00 10.03 C ATOM 0 H LEU A 86 -11.929 18.055 -18.417 1.00 12.14 H new ATOM 0 HA LEU A 86 -9.424 17.957 -19.817 1.00 60.21 H new ATOM 0 HB2 LEU A 86 -11.087 15.904 -18.337 1.00 53.13 H new ATOM 0 HB3 LEU A 86 -9.606 15.474 -19.170 1.00 53.13 H new ATOM 0 HG LEU A 86 -8.377 17.130 -17.734 1.00 74.12 H new ATOM 0 HD11 LEU A 86 -9.450 17.906 -15.659 1.00 61.20 H new ATOM 0 HD12 LEU A 86 -10.238 18.572 -17.109 1.00 61.20 H new ATOM 0 HD13 LEU A 86 -11.001 17.234 -16.218 1.00 61.20 H new ATOM 0 HD21 LEU A 86 -8.384 15.691 -15.715 1.00 10.03 H new ATOM 0 HD22 LEU A 86 -9.878 14.911 -16.287 1.00 10.03 H new ATOM 0 HD23 LEU A 86 -8.369 14.731 -17.213 1.00 10.03 H new ATOM 1426 N GLU A 87 -10.736 17.631 -22.082 1.00 22.14 N ATOM 1427 CA GLU A 87 -11.174 17.211 -23.419 1.00 54.55 C ATOM 1428 C GLU A 87 -10.060 16.461 -24.159 1.00 62.04 C ATOM 1429 O GLU A 87 -8.872 16.651 -23.882 1.00 53.41 O ATOM 1430 CB GLU A 87 -11.629 18.437 -24.228 1.00 33.42 C ATOM 1431 CG GLU A 87 -12.758 19.219 -23.560 1.00 70.22 C ATOM 1432 CD GLU A 87 -13.192 20.444 -24.354 1.00 43.14 C ATOM 1433 OE1 GLU A 87 -14.043 20.304 -25.258 1.00 44.21 O ATOM 1434 OE2 GLU A 87 -12.691 21.552 -24.071 1.00 63.31 O ATOM 0 H GLU A 87 -10.368 18.581 -22.043 1.00 22.14 H new ATOM 0 HA GLU A 87 -12.014 16.526 -23.306 1.00 54.55 H new ATOM 0 HB2 GLU A 87 -10.777 19.100 -24.379 1.00 33.42 H new ATOM 0 HB3 GLU A 87 -11.957 18.111 -25.215 1.00 33.42 H new ATOM 0 HG2 GLU A 87 -13.616 18.560 -23.423 1.00 70.22 H new ATOM 0 HG3 GLU A 87 -12.436 19.533 -22.567 1.00 70.22 H new ATOM 1441 N THR A 88 -10.445 15.596 -25.093 1.00 3.23 N ATOM 1442 CA THR A 88 -9.477 14.810 -25.860 1.00 1.03 C ATOM 1443 C THR A 88 -8.749 15.663 -26.910 1.00 64.30 C ATOM 1444 O THR A 88 -9.238 15.863 -28.023 1.00 31.34 O ATOM 1445 CB THR A 88 -10.136 13.590 -26.555 1.00 63.51 C ATOM 1446 OG1 THR A 88 -11.287 14.006 -27.309 1.00 60.42 O ATOM 1447 CG2 THR A 88 -10.546 12.529 -25.533 1.00 74.32 C ATOM 0 H THR A 88 -11.419 15.420 -25.339 1.00 3.23 H new ATOM 0 HA THR A 88 -8.748 14.446 -25.136 1.00 1.03 H new ATOM 0 HB THR A 88 -9.401 13.154 -27.231 1.00 63.51 H new ATOM 0 HG1 THR A 88 -11.045 14.091 -28.255 1.00 60.42 H new ATOM 0 HG21 THR A 88 -11.005 11.685 -26.049 1.00 74.32 H new ATOM 0 HG22 THR A 88 -9.665 12.187 -24.990 1.00 74.32 H new ATOM 0 HG23 THR A 88 -11.261 12.958 -24.830 1.00 74.32 H new ATOM 1455 N ILE A 89 -7.594 16.202 -26.522 1.00 52.10 N ATOM 1456 CA ILE A 89 -6.709 16.913 -27.452 1.00 22.11 C ATOM 1457 C ILE A 89 -5.728 15.922 -28.089 1.00 33.44 C ATOM 1458 O ILE A 89 -5.441 15.972 -29.288 1.00 11.33 O ATOM 1459 CB ILE A 89 -5.915 18.033 -26.725 1.00 1.44 C ATOM 1460 CG1 ILE A 89 -6.876 19.005 -26.012 1.00 61.01 C ATOM 1461 CG2 ILE A 89 -5.012 18.786 -27.706 1.00 21.45 C ATOM 1462 CD1 ILE A 89 -7.864 19.692 -26.936 1.00 53.13 C ATOM 0 H ILE A 89 -7.245 16.161 -25.564 1.00 52.10 H new ATOM 0 HA ILE A 89 -7.325 17.374 -28.224 1.00 22.11 H new ATOM 0 HB ILE A 89 -5.280 17.565 -25.972 1.00 1.44 H new ATOM 0 HG12 ILE A 89 -7.429 18.457 -25.249 1.00 61.01 H new ATOM 0 HG13 ILE A 89 -6.289 19.765 -25.496 1.00 61.01 H new ATOM 0 HG21 ILE A 89 -4.466 19.565 -27.174 1.00 21.45 H new ATOM 0 HG22 ILE A 89 -4.304 18.090 -28.156 1.00 21.45 H new ATOM 0 HG23 ILE A 89 -5.622 19.239 -28.487 1.00 21.45 H new ATOM 0 HD11 ILE A 89 -8.503 20.358 -26.356 1.00 53.13 H new ATOM 0 HD12 ILE A 89 -7.321 20.270 -27.684 1.00 53.13 H new ATOM 0 HD13 ILE A 89 -8.479 18.942 -27.433 1.00 53.13 H new ATOM 1474 N VAL A 90 -5.213 15.013 -27.264 1.00 12.23 N ATOM 1475 CA VAL A 90 -4.360 13.927 -27.735 1.00 12.44 C ATOM 1476 C VAL A 90 -5.210 12.820 -28.379 1.00 15.25 C ATOM 1477 O VAL A 90 -5.655 11.884 -27.708 1.00 72.24 O ATOM 1478 CB VAL A 90 -3.512 13.329 -26.582 1.00 32.31 C ATOM 1479 CG1 VAL A 90 -2.577 12.235 -27.095 1.00 71.12 C ATOM 1480 CG2 VAL A 90 -2.727 14.427 -25.866 1.00 62.24 C ATOM 0 H VAL A 90 -5.374 15.009 -26.257 1.00 12.23 H new ATOM 0 HA VAL A 90 -3.681 14.343 -28.479 1.00 12.44 H new ATOM 0 HB VAL A 90 -4.193 12.872 -25.864 1.00 32.31 H new ATOM 0 HG11 VAL A 90 -1.995 11.835 -26.265 1.00 71.12 H new ATOM 0 HG12 VAL A 90 -3.165 11.435 -27.545 1.00 71.12 H new ATOM 0 HG13 VAL A 90 -1.902 12.654 -27.842 1.00 71.12 H new ATOM 0 HG21 VAL A 90 -2.139 13.987 -25.061 1.00 62.24 H new ATOM 0 HG22 VAL A 90 -2.061 14.920 -26.575 1.00 62.24 H new ATOM 0 HG23 VAL A 90 -3.420 15.159 -25.451 1.00 62.24 H new ATOM 1490 N GLN A 91 -5.461 12.956 -29.674 1.00 64.21 N ATOM 1491 CA GLN A 91 -6.280 11.990 -30.415 1.00 65.51 C ATOM 1492 C GLN A 91 -5.499 10.703 -30.743 1.00 31.44 C ATOM 1493 O GLN A 91 -4.652 10.726 -31.665 1.00 37.38 O ATOM 1494 CB GLN A 91 -6.820 12.640 -31.695 1.00 44.34 C ATOM 1495 CG GLN A 91 -7.825 13.757 -31.431 1.00 21.14 C ATOM 1496 CD GLN A 91 -9.101 13.255 -30.764 1.00 33.53 C ATOM 1497 OE1 GLN A 91 -9.719 13.952 -29.970 1.00 63.44 O ATOM 1498 NE2 GLN A 91 -9.517 12.045 -31.095 1.00 32.20 N ATOM 1499 OXT GLN A 91 -5.742 9.670 -30.075 1.00 37.38 O ATOM 0 H GLN A 91 -5.110 13.728 -30.241 1.00 64.21 H new ATOM 0 HA GLN A 91 -7.116 11.700 -29.779 1.00 65.51 H new ATOM 0 HB2 GLN A 91 -5.985 13.041 -32.270 1.00 44.34 H new ATOM 0 HB3 GLN A 91 -7.292 11.875 -32.311 1.00 44.34 H new ATOM 0 HG2 GLN A 91 -7.363 14.514 -30.798 1.00 21.14 H new ATOM 0 HG3 GLN A 91 -8.079 14.242 -32.374 1.00 21.14 H new ATOM 0 HE21 GLN A 91 -8.982 11.486 -31.760 1.00 32.20 H new ATOM 0 HE22 GLN A 91 -10.373 11.670 -30.686 1.00 32.20 H new TER 1508 GLN A 91