USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 169:sc= -0.846 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 HIS : no HD1:sc= 0 X(o=-2.6,f=-2.7) USER MOD Set 2.2: A 34 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 167:sc= -0.0749 (180deg=-0.569) USER MOD Single : A 18 CYS SG : rot 150:sc= 0 USER MOD Single : A 23 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 24 MET CE :methyl -116:sc= -1.23 (180deg=-5.24!) USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -0.406 (180deg=-0.535) USER MOD Single : A 36 THR OG1 : rot -88:sc= 0.146 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.27) USER MOD Single : A 65 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.66) USER MOD Single : A 70 MET CE :methyl -149:sc= -1.15 (180deg=-2.35!) USER MOD Single : A 73 GLN : amide:sc= -0.166 K(o=-0.17,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.0388 F(o=-1.3,f=-0.039) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0482 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 1.170 0.143 -2.458 1.00 22.42 C ATOM 4 O GLY A 1 0.308 -0.701 -2.700 1.00 62.53 O ATOM 0 H1 GLY A 1 1.991 -0.099 0.797 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.807 0.894 0.094 1.00 13.00 H new ATOM 0 H3 GLY A 1 0.660 -0.795 0.005 1.00 13.00 H new ATOM 0 HA2 GLY A 1 2.792 0.818 -1.237 1.00 45.03 H new ATOM 0 HA3 GLY A 1 2.640 -0.925 -1.328 1.00 45.03 H new ATOM 8 N ALA A 2 1.368 1.214 -3.219 1.00 1.02 N ATOM 9 CA ALA A 2 0.567 1.463 -4.411 1.00 13.14 C ATOM 10 C ALA A 2 1.254 2.462 -5.336 1.00 20.25 C ATOM 11 O ALA A 2 2.343 2.951 -5.036 1.00 52.25 O ATOM 12 CB ALA A 2 -0.816 1.966 -4.021 1.00 44.14 C ATOM 0 H ALA A 2 2.076 1.923 -3.031 1.00 1.02 H new ATOM 0 HA ALA A 2 0.461 0.522 -4.951 1.00 13.14 H new ATOM 0 HB1 ALA A 2 -1.404 2.148 -4.921 1.00 44.14 H new ATOM 0 HB2 ALA A 2 -1.316 1.217 -3.406 1.00 44.14 H new ATOM 0 HB3 ALA A 2 -0.720 2.893 -3.456 1.00 44.14 H new ATOM 18 N MET A 3 0.611 2.759 -6.460 1.00 63.02 N ATOM 19 CA MET A 3 1.162 3.700 -7.429 1.00 13.24 C ATOM 20 C MET A 3 1.063 5.132 -6.912 1.00 22.13 C ATOM 21 O MET A 3 1.893 5.979 -7.241 1.00 21.13 O ATOM 22 CB MET A 3 0.428 3.577 -8.766 1.00 23.34 C ATOM 23 CG MET A 3 0.568 2.208 -9.411 1.00 71.40 C ATOM 24 SD MET A 3 1.698 2.214 -10.816 1.00 52.01 S ATOM 25 CE MET A 3 2.535 0.648 -10.585 1.00 30.44 C ATOM 0 H MET A 3 -0.291 2.362 -6.723 1.00 63.02 H new ATOM 0 HA MET A 3 2.214 3.457 -7.577 1.00 13.24 H new ATOM 0 HB2 MET A 3 -0.630 3.791 -8.612 1.00 23.34 H new ATOM 0 HB3 MET A 3 0.809 4.334 -9.452 1.00 23.34 H new ATOM 0 HG2 MET A 3 0.923 1.495 -8.667 1.00 71.40 H new ATOM 0 HG3 MET A 3 -0.413 1.864 -9.740 1.00 71.40 H new ATOM 0 HE1 MET A 3 3.268 0.507 -11.379 1.00 30.44 H new ATOM 0 HE2 MET A 3 3.041 0.645 -9.619 1.00 30.44 H new ATOM 0 HE3 MET A 3 1.806 -0.162 -10.616 1.00 30.44 H new ATOM 35 N ALA A 4 0.043 5.395 -6.101 1.00 62.13 N ATOM 36 CA ALA A 4 -0.162 6.724 -5.538 1.00 71.50 C ATOM 37 C ALA A 4 -0.220 7.782 -6.635 1.00 22.35 C ATOM 38 O ALA A 4 -0.287 7.457 -7.820 1.00 50.42 O ATOM 39 CB ALA A 4 0.941 7.051 -4.543 1.00 44.31 C ATOM 0 H ALA A 4 -0.654 4.705 -5.819 1.00 62.13 H new ATOM 0 HA ALA A 4 -1.119 6.727 -5.016 1.00 71.50 H new ATOM 0 HB1 ALA A 4 0.775 8.046 -4.130 1.00 44.31 H new ATOM 0 HB2 ALA A 4 0.933 6.318 -3.737 1.00 44.31 H new ATOM 0 HB3 ALA A 4 1.907 7.024 -5.048 1.00 44.31 H new ATOM 45 N ARG A 5 -0.194 9.048 -6.231 1.00 21.43 N ATOM 46 CA ARG A 5 -0.245 10.153 -7.179 1.00 53.45 C ATOM 47 C ARG A 5 1.159 10.556 -7.622 1.00 35.12 C ATOM 48 O ARG A 5 1.361 10.998 -8.752 1.00 71.03 O ATOM 49 CB ARG A 5 -0.960 11.355 -6.557 1.00 65.51 C ATOM 50 CG ARG A 5 -2.237 10.988 -5.819 1.00 4.32 C ATOM 51 CD ARG A 5 -3.208 10.244 -6.722 1.00 11.14 C ATOM 52 NE ARG A 5 -4.599 10.530 -6.382 1.00 54.11 N ATOM 53 CZ ARG A 5 -5.239 11.628 -6.768 1.00 12.51 C ATOM 54 NH1 ARG A 5 -4.616 12.539 -7.503 1.00 2.23 N ATOM 55 NH2 ARG A 5 -6.505 11.817 -6.419 1.00 54.40 N ATOM 0 H ARG A 5 -0.138 9.333 -5.253 1.00 21.43 H new ATOM 0 HA ARG A 5 -0.802 9.821 -8.055 1.00 53.45 H new ATOM 0 HB2 ARG A 5 -0.281 11.853 -5.865 1.00 65.51 H new ATOM 0 HB3 ARG A 5 -1.198 12.072 -7.343 1.00 65.51 H new ATOM 0 HG2 ARG A 5 -1.994 10.369 -4.955 1.00 4.32 H new ATOM 0 HG3 ARG A 5 -2.712 11.893 -5.439 1.00 4.32 H new ATOM 0 HD2 ARG A 5 -3.024 10.522 -7.760 1.00 11.14 H new ATOM 0 HD3 ARG A 5 -3.028 9.172 -6.643 1.00 11.14 H new ATOM 0 HE ARG A 5 -5.107 9.849 -5.817 1.00 54.11 H new ATOM 0 HH11 ARG A 5 -3.643 12.398 -7.773 1.00 2.23 H new ATOM 0 HH12 ARG A 5 -5.110 13.381 -7.798 1.00 2.23 H new ATOM 0 HH21 ARG A 5 -6.988 11.119 -5.854 1.00 54.40 H new ATOM 0 HH22 ARG A 5 -6.995 12.661 -6.716 1.00 54.40 H new ATOM 69 N ALA A 6 2.124 10.400 -6.722 1.00 63.13 N ATOM 70 CA ALA A 6 3.509 10.745 -7.020 1.00 53.51 C ATOM 71 C ALA A 6 3.614 12.164 -7.571 1.00 23.42 C ATOM 72 O ALA A 6 4.380 12.423 -8.498 1.00 61.13 O ATOM 73 CB ALA A 6 4.101 9.749 -8.006 1.00 1.04 C ATOM 0 H ALA A 6 1.973 10.037 -5.781 1.00 63.13 H new ATOM 0 HA ALA A 6 4.077 10.700 -6.091 1.00 53.51 H new ATOM 0 HB1 ALA A 6 5.135 10.019 -8.219 1.00 1.04 H new ATOM 0 HB2 ALA A 6 4.069 8.748 -7.576 1.00 1.04 H new ATOM 0 HB3 ALA A 6 3.524 9.765 -8.930 1.00 1.04 H new ATOM 79 N GLU A 7 2.840 13.077 -6.994 1.00 32.14 N ATOM 80 CA GLU A 7 2.846 14.469 -7.429 1.00 63.51 C ATOM 81 C GLU A 7 4.261 15.039 -7.406 1.00 44.12 C ATOM 82 O GLU A 7 4.610 15.892 -8.221 1.00 43.42 O ATOM 83 CB GLU A 7 1.931 15.310 -6.537 1.00 20.41 C ATOM 84 CG GLU A 7 2.520 15.606 -5.168 1.00 22.00 C ATOM 85 CD GLU A 7 2.747 14.352 -4.346 1.00 73.24 C ATOM 86 OE1 GLU A 7 1.910 13.429 -4.431 1.00 72.42 O ATOM 87 OE2 GLU A 7 3.760 14.293 -3.619 1.00 51.20 O ATOM 0 H GLU A 7 2.201 12.878 -6.224 1.00 32.14 H new ATOM 0 HA GLU A 7 2.474 14.505 -8.453 1.00 63.51 H new ATOM 0 HB2 GLU A 7 1.712 16.252 -7.040 1.00 20.41 H new ATOM 0 HB3 GLU A 7 0.982 14.789 -6.410 1.00 20.41 H new ATOM 0 HG2 GLU A 7 3.467 16.132 -5.290 1.00 22.00 H new ATOM 0 HG3 GLU A 7 1.851 16.275 -4.626 1.00 22.00 H new ATOM 94 N GLU A 8 5.071 14.561 -6.466 1.00 52.31 N ATOM 95 CA GLU A 8 6.447 15.025 -6.336 1.00 62.12 C ATOM 96 C GLU A 8 7.337 14.395 -7.404 1.00 54.03 C ATOM 97 O GLU A 8 8.362 14.960 -7.787 1.00 13.10 O ATOM 98 CB GLU A 8 6.991 14.695 -4.945 1.00 31.35 C ATOM 99 CG GLU A 8 7.138 13.205 -4.686 1.00 74.42 C ATOM 100 CD GLU A 8 7.915 12.906 -3.419 1.00 32.01 C ATOM 101 OE1 GLU A 8 7.551 13.454 -2.357 1.00 51.44 O ATOM 102 OE2 GLU A 8 8.886 12.125 -3.488 1.00 64.22 O ATOM 0 H GLU A 8 4.798 13.853 -5.784 1.00 52.31 H new ATOM 0 HA GLU A 8 6.453 16.106 -6.474 1.00 62.12 H new ATOM 0 HB2 GLU A 8 7.962 15.174 -4.821 1.00 31.35 H new ATOM 0 HB3 GLU A 8 6.327 15.122 -4.194 1.00 31.35 H new ATOM 0 HG2 GLU A 8 6.149 12.753 -4.616 1.00 74.42 H new ATOM 0 HG3 GLU A 8 7.641 12.741 -5.534 1.00 74.42 H new ATOM 109 N HIS A 9 6.937 13.220 -7.881 1.00 41.44 N ATOM 110 CA HIS A 9 7.697 12.513 -8.905 1.00 62.45 C ATOM 111 C HIS A 9 7.373 13.054 -10.294 1.00 52.44 C ATOM 112 O HIS A 9 7.910 12.582 -11.296 1.00 63.44 O ATOM 113 CB HIS A 9 7.399 11.014 -8.847 1.00 42.14 C ATOM 114 CG HIS A 9 8.610 10.155 -9.042 1.00 23.43 C ATOM 115 ND1 HIS A 9 8.784 8.944 -8.404 1.00 44.42 N ATOM 116 CD2 HIS A 9 9.710 10.335 -9.809 1.00 43.54 C ATOM 117 CE1 HIS A 9 9.940 8.419 -8.770 1.00 31.11 C ATOM 118 NE2 HIS A 9 10.521 9.243 -9.623 1.00 3.13 N ATOM 0 H HIS A 9 6.092 12.738 -7.575 1.00 41.44 H new ATOM 0 HA HIS A 9 8.757 12.674 -8.710 1.00 62.45 H new ATOM 0 HB2 HIS A 9 6.948 10.779 -7.883 1.00 42.14 H new ATOM 0 HB3 HIS A 9 6.662 10.768 -9.612 1.00 42.14 H new ATOM 0 HD2 HIS A 9 9.913 11.181 -10.449 1.00 43.54 H new ATOM 0 HE1 HIS A 9 10.342 7.476 -8.429 1.00 31.11 H new ATOM 0 HE2 HIS A 9 11.425 9.093 -10.071 1.00 3.13 H new ATOM 126 N ILE A 10 6.491 14.047 -10.346 1.00 31.11 N ATOM 127 CA ILE A 10 6.096 14.652 -11.612 1.00 11.23 C ATOM 128 C ILE A 10 7.164 15.617 -12.117 1.00 35.14 C ATOM 129 O ILE A 10 7.474 15.648 -13.308 1.00 21.44 O ATOM 130 CB ILE A 10 4.759 15.406 -11.482 1.00 70.34 C ATOM 131 CG1 ILE A 10 3.707 14.512 -10.822 1.00 52.32 C ATOM 132 CG2 ILE A 10 4.281 15.875 -12.848 1.00 43.24 C ATOM 133 CD1 ILE A 10 3.464 13.216 -11.563 1.00 24.23 C ATOM 0 H ILE A 10 6.037 14.449 -9.526 1.00 31.11 H new ATOM 0 HA ILE A 10 5.977 13.838 -12.328 1.00 11.23 H new ATOM 0 HB ILE A 10 4.912 16.282 -10.852 1.00 70.34 H new ATOM 0 HG12 ILE A 10 4.022 14.285 -9.804 1.00 52.32 H new ATOM 0 HG13 ILE A 10 2.768 15.062 -10.750 1.00 52.32 H new ATOM 0 HG21 ILE A 10 3.335 16.406 -12.740 1.00 43.24 H new ATOM 0 HG22 ILE A 10 5.024 16.542 -13.284 1.00 43.24 H new ATOM 0 HG23 ILE A 10 4.141 15.013 -13.500 1.00 43.24 H new ATOM 0 HD11 ILE A 10 2.707 12.633 -11.038 1.00 24.23 H new ATOM 0 HD12 ILE A 10 3.118 13.434 -12.573 1.00 24.23 H new ATOM 0 HD13 ILE A 10 4.391 12.645 -11.612 1.00 24.23 H new ATOM 145 N TYR A 11 7.723 16.402 -11.203 1.00 21.01 N ATOM 146 CA TYR A 11 8.756 17.369 -11.555 1.00 63.32 C ATOM 147 C TYR A 11 9.780 17.505 -10.433 1.00 4.04 C ATOM 148 O TYR A 11 9.426 17.766 -9.283 1.00 4.13 O ATOM 149 CB TYR A 11 8.129 18.731 -11.856 1.00 75.31 C ATOM 150 CG TYR A 11 7.375 18.774 -13.167 1.00 4.05 C ATOM 151 CD1 TYR A 11 8.051 18.893 -14.375 1.00 2.01 C ATOM 152 CD2 TYR A 11 5.989 18.697 -13.197 1.00 14.15 C ATOM 153 CE1 TYR A 11 7.367 18.934 -15.575 1.00 24.24 C ATOM 154 CE2 TYR A 11 5.297 18.736 -14.392 1.00 33.45 C ATOM 155 CZ TYR A 11 5.990 18.854 -15.578 1.00 4.22 C ATOM 156 OH TYR A 11 5.305 18.894 -16.770 1.00 52.32 O ATOM 0 H TYR A 11 7.478 16.388 -10.213 1.00 21.01 H new ATOM 0 HA TYR A 11 9.267 17.007 -12.447 1.00 63.32 H new ATOM 0 HB2 TYR A 11 7.449 18.995 -11.046 1.00 75.31 H new ATOM 0 HB3 TYR A 11 8.914 19.487 -11.873 1.00 75.31 H new ATOM 0 HD1 TYR A 11 9.129 18.954 -14.376 1.00 2.01 H new ATOM 0 HD2 TYR A 11 5.442 18.605 -12.270 1.00 14.15 H new ATOM 0 HE1 TYR A 11 7.908 19.028 -16.505 1.00 24.24 H new ATOM 0 HE2 TYR A 11 4.219 18.674 -14.397 1.00 33.45 H new ATOM 0 HH TYR A 11 4.343 18.825 -16.597 1.00 52.32 H new ATOM 166 N ARG A 12 11.052 17.327 -10.776 1.00 31.23 N ATOM 167 CA ARG A 12 12.129 17.429 -9.798 1.00 54.10 C ATOM 168 C ARG A 12 12.296 18.869 -9.322 1.00 50.23 C ATOM 169 O ARG A 12 12.495 19.121 -8.134 1.00 63.24 O ATOM 170 CB ARG A 12 13.441 16.923 -10.399 1.00 4.32 C ATOM 171 CG ARG A 12 13.839 17.637 -11.681 1.00 23.53 C ATOM 172 CD ARG A 12 14.496 16.684 -12.668 1.00 34.24 C ATOM 173 NE ARG A 12 15.953 16.729 -12.585 1.00 61.21 N ATOM 174 CZ ARG A 12 16.748 15.815 -13.129 1.00 65.42 C ATOM 175 NH1 ARG A 12 16.230 14.790 -13.792 1.00 61.00 N ATOM 176 NH2 ARG A 12 18.066 15.925 -13.011 1.00 74.42 N ATOM 0 H ARG A 12 11.362 17.111 -11.724 1.00 31.23 H new ATOM 0 HA ARG A 12 11.868 16.809 -8.940 1.00 54.10 H new ATOM 0 HB2 ARG A 12 14.237 17.042 -9.664 1.00 4.32 H new ATOM 0 HB3 ARG A 12 13.351 15.856 -10.601 1.00 4.32 H new ATOM 0 HG2 ARG A 12 12.957 18.085 -12.138 1.00 23.53 H new ATOM 0 HG3 ARG A 12 14.525 18.451 -11.448 1.00 23.53 H new ATOM 0 HD2 ARG A 12 14.153 15.668 -12.474 1.00 34.24 H new ATOM 0 HD3 ARG A 12 14.183 16.938 -13.681 1.00 34.24 H new ATOM 0 HE ARG A 12 16.384 17.505 -12.082 1.00 61.21 H new ATOM 0 HH11 ARG A 12 15.218 14.702 -13.885 1.00 61.00 H new ATOM 0 HH12 ARG A 12 16.843 14.090 -14.209 1.00 61.00 H new ATOM 0 HH21 ARG A 12 18.469 16.712 -12.502 1.00 74.42 H new ATOM 0 HH22 ARG A 12 18.676 15.222 -13.429 1.00 74.42 H new ATOM 190 N GLU A 13 12.214 19.810 -10.258 1.00 71.33 N ATOM 191 CA GLU A 13 12.358 21.224 -9.934 1.00 32.02 C ATOM 192 C GLU A 13 11.323 21.652 -8.897 1.00 43.40 C ATOM 193 O GLU A 13 11.633 22.399 -7.968 1.00 32.32 O ATOM 194 CB GLU A 13 12.214 22.077 -11.196 1.00 62.21 C ATOM 195 CG GLU A 13 13.483 22.150 -12.029 1.00 2.24 C ATOM 196 CD GLU A 13 13.650 23.489 -12.721 1.00 73.25 C ATOM 197 OE1 GLU A 13 12.774 23.849 -13.536 1.00 25.11 O ATOM 198 OE2 GLU A 13 14.656 24.176 -12.448 1.00 41.24 O ATOM 0 H GLU A 13 12.049 19.618 -11.246 1.00 71.33 H new ATOM 0 HA GLU A 13 13.353 21.375 -9.514 1.00 32.02 H new ATOM 0 HB2 GLU A 13 11.410 21.671 -11.809 1.00 62.21 H new ATOM 0 HB3 GLU A 13 11.918 23.086 -10.910 1.00 62.21 H new ATOM 0 HG2 GLU A 13 14.345 21.967 -11.388 1.00 2.24 H new ATOM 0 HG3 GLU A 13 13.468 21.358 -12.777 1.00 2.24 H new ATOM 205 N ILE A 14 10.094 21.175 -9.064 1.00 5.30 N ATOM 206 CA ILE A 14 9.015 21.508 -8.143 1.00 73.01 C ATOM 207 C ILE A 14 9.387 21.153 -6.708 1.00 22.53 C ATOM 208 O ILE A 14 8.826 21.697 -5.757 1.00 72.43 O ATOM 209 CB ILE A 14 7.710 20.780 -8.518 1.00 44.13 C ATOM 210 CG1 ILE A 14 7.203 21.265 -9.878 1.00 64.42 C ATOM 211 CG2 ILE A 14 6.655 20.998 -7.445 1.00 14.01 C ATOM 212 CD1 ILE A 14 7.004 22.762 -9.950 1.00 45.42 C ATOM 0 H ILE A 14 9.821 20.557 -9.828 1.00 5.30 H new ATOM 0 HA ILE A 14 8.857 22.584 -8.219 1.00 73.01 H new ATOM 0 HB ILE A 14 7.914 19.712 -8.587 1.00 44.13 H new ATOM 0 HG12 ILE A 14 7.912 20.963 -10.649 1.00 64.42 H new ATOM 0 HG13 ILE A 14 6.258 20.770 -10.102 1.00 64.42 H new ATOM 0 HG21 ILE A 14 5.739 20.478 -7.724 1.00 14.01 H new ATOM 0 HG22 ILE A 14 7.018 20.609 -6.494 1.00 14.01 H new ATOM 0 HG23 ILE A 14 6.451 22.064 -7.347 1.00 14.01 H new ATOM 0 HD11 ILE A 14 6.644 23.034 -10.942 1.00 45.42 H new ATOM 0 HD12 ILE A 14 6.273 23.068 -9.202 1.00 45.42 H new ATOM 0 HD13 ILE A 14 7.952 23.265 -9.758 1.00 45.42 H new ATOM 224 N MET A 15 10.339 20.237 -6.559 1.00 2.24 N ATOM 225 CA MET A 15 10.789 19.811 -5.239 1.00 2.35 C ATOM 226 C MET A 15 11.063 21.015 -4.343 1.00 3.30 C ATOM 227 O MET A 15 10.908 20.941 -3.125 1.00 0.34 O ATOM 228 CB MET A 15 12.050 18.953 -5.358 1.00 73.44 C ATOM 229 CG MET A 15 12.448 18.273 -4.058 1.00 43.51 C ATOM 230 SD MET A 15 13.769 17.066 -4.282 1.00 14.05 S ATOM 231 CE MET A 15 15.017 18.073 -5.078 1.00 5.45 C ATOM 0 H MET A 15 10.813 19.776 -7.336 1.00 2.24 H new ATOM 0 HA MET A 15 9.995 19.217 -4.787 1.00 2.35 H new ATOM 0 HB2 MET A 15 11.891 18.192 -6.122 1.00 73.44 H new ATOM 0 HB3 MET A 15 12.875 19.579 -5.698 1.00 73.44 H new ATOM 0 HG2 MET A 15 12.769 19.028 -3.341 1.00 43.51 H new ATOM 0 HG3 MET A 15 11.577 17.777 -3.630 1.00 43.51 H new ATOM 0 HE1 MET A 15 15.969 17.543 -5.074 1.00 5.45 H new ATOM 0 HE2 MET A 15 14.719 18.276 -6.107 1.00 5.45 H new ATOM 0 HE3 MET A 15 15.123 19.014 -4.539 1.00 5.45 H new ATOM 241 N GLU A 16 11.472 22.122 -4.956 1.00 11.25 N ATOM 242 CA GLU A 16 11.768 23.341 -4.212 1.00 24.12 C ATOM 243 C GLU A 16 10.557 23.792 -3.401 1.00 30.44 C ATOM 244 O GLU A 16 10.659 24.043 -2.199 1.00 53.21 O ATOM 245 CB GLU A 16 12.200 24.456 -5.167 1.00 74.32 C ATOM 246 CG GLU A 16 13.538 24.198 -5.838 1.00 42.23 C ATOM 247 CD GLU A 16 14.603 23.742 -4.860 1.00 21.01 C ATOM 248 OE1 GLU A 16 14.846 24.463 -3.870 1.00 4.42 O ATOM 249 OE2 GLU A 16 15.193 22.665 -5.084 1.00 21.40 O ATOM 0 H GLU A 16 11.606 22.200 -5.964 1.00 11.25 H new ATOM 0 HA GLU A 16 12.585 23.126 -3.523 1.00 24.12 H new ATOM 0 HB2 GLU A 16 11.436 24.582 -5.935 1.00 74.32 H new ATOM 0 HB3 GLU A 16 12.255 25.394 -4.615 1.00 74.32 H new ATOM 0 HG2 GLU A 16 13.412 23.440 -6.612 1.00 42.23 H new ATOM 0 HG3 GLU A 16 13.872 25.109 -6.335 1.00 42.23 H new ATOM 256 N LEU A 17 9.411 23.892 -4.066 1.00 24.03 N ATOM 257 CA LEU A 17 8.179 24.313 -3.408 1.00 22.12 C ATOM 258 C LEU A 17 7.504 23.135 -2.712 1.00 54.44 C ATOM 259 O LEU A 17 7.141 23.220 -1.538 1.00 62.13 O ATOM 260 CB LEU A 17 7.222 24.937 -4.425 1.00 61.51 C ATOM 261 CG LEU A 17 6.181 25.905 -3.862 1.00 23.33 C ATOM 262 CD1 LEU A 17 6.558 27.342 -4.187 1.00 31.23 C ATOM 263 CD2 LEU A 17 4.799 25.578 -4.406 1.00 75.53 C ATOM 0 H LEU A 17 9.309 23.687 -5.060 1.00 24.03 H new ATOM 0 HA LEU A 17 8.434 25.058 -2.655 1.00 22.12 H new ATOM 0 HB2 LEU A 17 7.813 25.465 -5.173 1.00 61.51 H new ATOM 0 HB3 LEU A 17 6.699 24.133 -4.942 1.00 61.51 H new ATOM 0 HG LEU A 17 6.158 25.793 -2.778 1.00 23.33 H new ATOM 0 HD11 LEU A 17 5.806 28.017 -3.779 1.00 31.23 H new ATOM 0 HD12 LEU A 17 7.529 27.572 -3.747 1.00 31.23 H new ATOM 0 HD13 LEU A 17 6.610 27.469 -5.268 1.00 31.23 H new ATOM 0 HD21 LEU A 17 4.071 26.277 -3.994 1.00 75.53 H new ATOM 0 HD22 LEU A 17 4.807 25.660 -5.493 1.00 75.53 H new ATOM 0 HD23 LEU A 17 4.527 24.562 -4.121 1.00 75.53 H new ATOM 275 N CYS A 18 7.339 22.038 -3.443 1.00 43.53 N ATOM 276 CA CYS A 18 6.708 20.842 -2.896 1.00 45.52 C ATOM 277 C CYS A 18 7.295 20.494 -1.532 1.00 61.01 C ATOM 278 O CYS A 18 6.577 20.073 -0.625 1.00 61.30 O ATOM 279 CB CYS A 18 6.883 19.664 -3.856 1.00 15.52 C ATOM 280 SG CYS A 18 6.301 18.084 -3.198 1.00 15.12 S ATOM 0 H CYS A 18 7.633 21.952 -4.416 1.00 43.53 H new ATOM 0 HA CYS A 18 5.644 21.046 -2.772 1.00 45.52 H new ATOM 0 HB2 CYS A 18 6.348 19.880 -4.781 1.00 15.52 H new ATOM 0 HB3 CYS A 18 7.938 19.572 -4.113 1.00 15.52 H new ATOM 0 HG CYS A 18 5.889 17.332 -4.175 1.00 15.12 H new ATOM 286 N PHE A 19 8.605 20.671 -1.394 1.00 70.15 N ATOM 287 CA PHE A 19 9.289 20.373 -0.142 1.00 23.42 C ATOM 288 C PHE A 19 8.629 21.101 1.025 1.00 2.03 C ATOM 289 O PHE A 19 8.437 20.531 2.099 1.00 23.43 O ATOM 290 CB PHE A 19 10.765 20.767 -0.235 1.00 54.43 C ATOM 291 CG PHE A 19 11.497 20.664 1.072 1.00 12.10 C ATOM 292 CD1 PHE A 19 11.352 19.545 1.876 1.00 75.00 C ATOM 293 CD2 PHE A 19 12.331 21.686 1.497 1.00 72.33 C ATOM 294 CE1 PHE A 19 12.024 19.448 3.080 1.00 74.13 C ATOM 295 CE2 PHE A 19 13.006 21.594 2.699 1.00 12.14 C ATOM 296 CZ PHE A 19 12.853 20.473 3.491 1.00 13.14 C ATOM 0 H PHE A 19 9.214 21.019 -2.134 1.00 70.15 H new ATOM 0 HA PHE A 19 9.218 19.300 0.035 1.00 23.42 H new ATOM 0 HB2 PHE A 19 11.257 20.129 -0.969 1.00 54.43 H new ATOM 0 HB3 PHE A 19 10.837 21.791 -0.603 1.00 54.43 H new ATOM 0 HD1 PHE A 19 10.707 18.739 1.558 1.00 75.00 H new ATOM 0 HD2 PHE A 19 12.455 22.565 0.881 1.00 72.33 H new ATOM 0 HE1 PHE A 19 11.901 18.571 3.699 1.00 74.13 H new ATOM 0 HE2 PHE A 19 13.653 22.398 3.019 1.00 12.14 H new ATOM 0 HZ PHE A 19 13.381 20.398 4.430 1.00 13.14 H new ATOM 306 N VAL A 20 8.284 22.366 0.807 1.00 44.03 N ATOM 307 CA VAL A 20 7.645 23.174 1.839 1.00 65.41 C ATOM 308 C VAL A 20 6.175 22.803 1.995 1.00 52.34 C ATOM 309 O VAL A 20 5.662 22.711 3.110 1.00 24.05 O ATOM 310 CB VAL A 20 7.754 24.677 1.523 1.00 43.13 C ATOM 311 CG1 VAL A 20 6.973 25.495 2.540 1.00 21.20 C ATOM 312 CG2 VAL A 20 9.212 25.109 1.486 1.00 44.24 C ATOM 0 H VAL A 20 8.436 22.854 -0.076 1.00 44.03 H new ATOM 0 HA VAL A 20 8.169 22.968 2.772 1.00 65.41 H new ATOM 0 HB VAL A 20 7.321 24.856 0.539 1.00 43.13 H new ATOM 0 HG11 VAL A 20 7.062 26.555 2.300 1.00 21.20 H new ATOM 0 HG12 VAL A 20 5.923 25.204 2.512 1.00 21.20 H new ATOM 0 HG13 VAL A 20 7.374 25.314 3.537 1.00 21.20 H new ATOM 0 HG21 VAL A 20 9.270 26.174 1.261 1.00 44.24 H new ATOM 0 HG22 VAL A 20 9.673 24.917 2.455 1.00 44.24 H new ATOM 0 HG23 VAL A 20 9.739 24.546 0.715 1.00 44.24 H new ATOM 322 N ILE A 21 5.501 22.592 0.869 1.00 63.21 N ATOM 323 CA ILE A 21 4.089 22.230 0.881 1.00 65.25 C ATOM 324 C ILE A 21 3.864 20.918 1.625 1.00 65.02 C ATOM 325 O ILE A 21 2.833 20.727 2.269 1.00 11.11 O ATOM 326 CB ILE A 21 3.530 22.099 -0.548 1.00 61.34 C ATOM 327 CG1 ILE A 21 3.854 23.353 -1.363 1.00 71.42 C ATOM 328 CG2 ILE A 21 2.028 21.859 -0.509 1.00 62.13 C ATOM 329 CD1 ILE A 21 3.483 24.641 -0.663 1.00 31.12 C ATOM 0 H ILE A 21 5.910 22.666 -0.063 1.00 63.21 H new ATOM 0 HA ILE A 21 3.562 23.032 1.397 1.00 65.25 H new ATOM 0 HB ILE A 21 4.003 21.243 -1.030 1.00 61.34 H new ATOM 0 HG12 ILE A 21 4.921 23.365 -1.587 1.00 71.42 H new ATOM 0 HG13 ILE A 21 3.328 23.303 -2.316 1.00 71.42 H new ATOM 0 HG21 ILE A 21 1.647 21.769 -1.526 1.00 62.13 H new ATOM 0 HG22 ILE A 21 1.821 20.940 0.039 1.00 62.13 H new ATOM 0 HG23 ILE A 21 1.539 22.696 -0.012 1.00 62.13 H new ATOM 0 HD11 ILE A 21 3.741 25.488 -1.299 1.00 31.12 H new ATOM 0 HD12 ILE A 21 2.412 24.651 -0.463 1.00 31.12 H new ATOM 0 HD13 ILE A 21 4.029 24.714 0.278 1.00 31.12 H new ATOM 341 N ARG A 22 4.838 20.017 1.533 1.00 54.51 N ATOM 342 CA ARG A 22 4.746 18.723 2.198 1.00 2.42 C ATOM 343 C ARG A 22 4.798 18.887 3.714 1.00 24.44 C ATOM 344 O ARG A 22 4.303 18.040 4.459 1.00 72.01 O ATOM 345 CB ARG A 22 5.879 17.806 1.734 1.00 43.30 C ATOM 346 CG ARG A 22 5.948 16.491 2.492 1.00 34.23 C ATOM 347 CD ARG A 22 7.019 16.524 3.571 1.00 43.54 C ATOM 348 NE ARG A 22 7.150 15.240 4.253 1.00 73.21 N ATOM 349 CZ ARG A 22 8.080 14.984 5.166 1.00 35.14 C ATOM 350 NH1 ARG A 22 8.956 15.920 5.506 1.00 75.54 N ATOM 351 NH2 ARG A 22 8.134 13.790 5.743 1.00 10.11 N ATOM 0 H ARG A 22 5.699 20.160 1.005 1.00 54.51 H new ATOM 0 HA ARG A 22 3.790 18.272 1.931 1.00 2.42 H new ATOM 0 HB2 ARG A 22 5.754 17.597 0.672 1.00 43.30 H new ATOM 0 HB3 ARG A 22 6.828 18.330 1.846 1.00 43.30 H new ATOM 0 HG2 ARG A 22 4.980 16.280 2.946 1.00 34.23 H new ATOM 0 HG3 ARG A 22 6.157 15.679 1.795 1.00 34.23 H new ATOM 0 HD2 ARG A 22 7.975 16.796 3.124 1.00 43.54 H new ATOM 0 HD3 ARG A 22 6.776 17.298 4.299 1.00 43.54 H new ATOM 0 HE ARG A 22 6.491 14.499 4.015 1.00 73.21 H new ATOM 0 HH11 ARG A 22 8.917 16.839 5.066 1.00 75.54 H new ATOM 0 HH12 ARG A 22 9.669 15.720 6.208 1.00 75.54 H new ATOM 0 HH21 ARG A 22 7.461 13.068 5.485 1.00 10.11 H new ATOM 0 HH22 ARG A 22 8.849 13.594 6.444 1.00 10.11 H new ATOM 365 N THR A 23 5.403 19.981 4.166 1.00 12.23 N ATOM 366 CA THR A 23 5.522 20.255 5.593 1.00 74.02 C ATOM 367 C THR A 23 4.206 20.771 6.165 1.00 23.10 C ATOM 368 O THR A 23 3.780 20.353 7.241 1.00 24.51 O ATOM 369 CB THR A 23 6.631 21.285 5.877 1.00 40.24 C ATOM 370 OG1 THR A 23 6.141 22.610 5.643 1.00 53.13 O ATOM 371 CG2 THR A 23 7.847 21.027 4.999 1.00 33.25 C ATOM 0 H THR A 23 5.818 20.692 3.564 1.00 12.23 H new ATOM 0 HA THR A 23 5.780 19.312 6.075 1.00 74.02 H new ATOM 0 HB THR A 23 6.928 21.187 6.921 1.00 40.24 H new ATOM 0 HG1 THR A 23 6.209 22.820 4.688 1.00 53.13 H new ATOM 0 HG21 THR A 23 8.617 21.767 5.217 1.00 33.25 H new ATOM 0 HG22 THR A 23 8.236 20.029 5.200 1.00 33.25 H new ATOM 0 HG23 THR A 23 7.560 21.100 3.950 1.00 33.25 H new ATOM 379 N MET A 24 3.567 21.681 5.438 1.00 12.42 N ATOM 380 CA MET A 24 2.298 22.253 5.874 1.00 72.21 C ATOM 381 C MET A 24 1.169 21.236 5.739 1.00 32.20 C ATOM 382 O MET A 24 0.489 20.917 6.714 1.00 72.32 O ATOM 383 CB MET A 24 1.971 23.506 5.059 1.00 64.43 C ATOM 384 CG MET A 24 2.651 24.762 5.578 1.00 53.42 C ATOM 385 SD MET A 24 1.665 25.623 6.819 1.00 62.51 S ATOM 386 CE MET A 24 2.280 24.867 8.322 1.00 10.52 C ATOM 0 H MET A 24 3.906 22.038 4.545 1.00 12.42 H new ATOM 0 HA MET A 24 2.394 22.527 6.925 1.00 72.21 H new ATOM 0 HB2 MET A 24 2.268 23.343 4.023 1.00 64.43 H new ATOM 0 HB3 MET A 24 0.892 23.660 5.061 1.00 64.43 H new ATOM 0 HG2 MET A 24 3.617 24.497 6.007 1.00 53.42 H new ATOM 0 HG3 MET A 24 2.847 25.436 4.744 1.00 53.42 H new ATOM 0 HE1 MET A 24 1.475 24.315 8.808 1.00 10.52 H new ATOM 0 HE2 MET A 24 3.093 24.183 8.079 1.00 10.52 H new ATOM 0 HE3 MET A 24 2.646 25.642 8.995 1.00 10.52 H new ATOM 396 N ALA A 25 0.975 20.731 4.525 1.00 21.11 N ATOM 397 CA ALA A 25 -0.070 19.749 4.264 1.00 52.11 C ATOM 398 C ALA A 25 0.485 18.330 4.314 1.00 31.31 C ATOM 399 O ALA A 25 1.468 18.014 3.644 1.00 23.33 O ATOM 400 CB ALA A 25 -0.720 20.016 2.914 1.00 0.44 C ATOM 0 H ALA A 25 1.528 20.986 3.707 1.00 21.11 H new ATOM 0 HA ALA A 25 -0.825 19.843 5.044 1.00 52.11 H new ATOM 0 HB1 ALA A 25 -1.499 19.275 2.732 1.00 0.44 H new ATOM 0 HB2 ALA A 25 -1.161 21.013 2.913 1.00 0.44 H new ATOM 0 HB3 ALA A 25 0.033 19.951 2.129 1.00 0.44 H new ATOM 406 N ARG A 26 -0.151 17.479 5.112 1.00 20.55 N ATOM 407 CA ARG A 26 0.281 16.093 5.251 1.00 0.02 C ATOM 408 C ARG A 26 -0.313 15.225 4.145 1.00 4.14 C ATOM 409 O ARG A 26 -0.092 14.014 4.106 1.00 1.21 O ATOM 410 CB ARG A 26 -0.127 15.544 6.620 1.00 62.14 C ATOM 411 CG ARG A 26 0.968 15.648 7.669 1.00 42.04 C ATOM 412 CD ARG A 26 0.390 15.873 9.057 1.00 40.52 C ATOM 413 NE ARG A 26 0.622 14.733 9.938 1.00 24.44 N ATOM 414 CZ ARG A 26 0.019 14.575 11.111 1.00 12.12 C ATOM 415 NH1 ARG A 26 -0.849 15.481 11.541 1.00 72.33 N ATOM 416 NH2 ARG A 26 0.283 13.510 11.857 1.00 73.32 N ATOM 0 H ARG A 26 -0.967 17.725 5.672 1.00 20.55 H new ATOM 0 HA ARG A 26 1.367 16.067 5.166 1.00 0.02 H new ATOM 0 HB2 ARG A 26 -1.007 16.083 6.971 1.00 62.14 H new ATOM 0 HB3 ARG A 26 -0.416 14.499 6.511 1.00 62.14 H new ATOM 0 HG2 ARG A 26 1.564 14.736 7.666 1.00 42.04 H new ATOM 0 HG3 ARG A 26 1.639 16.469 7.416 1.00 42.04 H new ATOM 0 HD2 ARG A 26 0.836 16.766 9.495 1.00 40.52 H new ATOM 0 HD3 ARG A 26 -0.681 16.058 8.978 1.00 40.52 H new ATOM 0 HE ARG A 26 1.284 14.018 9.636 1.00 24.44 H new ATOM 0 HH11 ARG A 26 -1.055 16.301 10.971 1.00 72.33 H new ATOM 0 HH12 ARG A 26 -1.311 15.358 12.442 1.00 72.33 H new ATOM 0 HH21 ARG A 26 0.950 12.811 11.530 1.00 73.32 H new ATOM 0 HH22 ARG A 26 -0.181 13.390 12.757 1.00 73.32 H new ATOM 430 N HIS A 27 -1.067 15.852 3.249 1.00 54.32 N ATOM 431 CA HIS A 27 -1.693 15.137 2.142 1.00 51.40 C ATOM 432 C HIS A 27 -0.649 14.389 1.319 1.00 22.22 C ATOM 433 O HIS A 27 -0.966 13.418 0.632 1.00 25.52 O ATOM 434 CB HIS A 27 -2.462 16.111 1.248 1.00 62.20 C ATOM 435 CG HIS A 27 -3.595 16.798 1.946 1.00 22.00 C ATOM 436 ND1 HIS A 27 -4.428 16.158 2.839 1.00 72.44 N ATOM 437 CD2 HIS A 27 -4.029 18.078 1.880 1.00 54.21 C ATOM 438 CE1 HIS A 27 -5.327 17.014 3.290 1.00 75.41 C ATOM 439 NE2 HIS A 27 -5.107 18.186 2.724 1.00 51.50 N ATOM 0 H HIS A 27 -1.260 16.853 3.267 1.00 54.32 H new ATOM 0 HA HIS A 27 -2.390 14.410 2.559 1.00 51.40 H new ATOM 0 HB2 HIS A 27 -1.772 16.863 0.866 1.00 62.20 H new ATOM 0 HB3 HIS A 27 -2.852 15.570 0.386 1.00 62.20 H new ATOM 0 HD2 HIS A 27 -3.606 18.867 1.276 1.00 54.21 H new ATOM 0 HE1 HIS A 27 -6.109 16.793 4.001 1.00 75.41 H new ATOM 0 HE2 HIS A 27 -5.650 19.034 2.887 1.00 51.50 H new ATOM 447 N ARG A 28 0.596 14.848 1.393 1.00 22.24 N ATOM 448 CA ARG A 28 1.686 14.223 0.654 1.00 62.20 C ATOM 449 C ARG A 28 1.716 12.717 0.898 1.00 33.13 C ATOM 450 O ARG A 28 2.125 11.945 0.031 1.00 51.22 O ATOM 451 CB ARG A 28 3.026 14.842 1.058 1.00 54.04 C ATOM 452 CG ARG A 28 4.162 14.511 0.104 1.00 53.24 C ATOM 453 CD ARG A 28 4.938 13.288 0.565 1.00 62.20 C ATOM 454 NE ARG A 28 5.400 12.477 -0.558 1.00 42.15 N ATOM 455 CZ ARG A 28 6.057 11.331 -0.417 1.00 0.22 C ATOM 456 NH1 ARG A 28 6.327 10.863 0.794 1.00 2.51 N ATOM 457 NH2 ARG A 28 6.445 10.650 -1.488 1.00 14.42 N ATOM 0 H ARG A 28 0.875 15.651 1.957 1.00 22.24 H new ATOM 0 HA ARG A 28 1.518 14.398 -0.409 1.00 62.20 H new ATOM 0 HB2 ARG A 28 2.914 15.925 1.114 1.00 54.04 H new ATOM 0 HB3 ARG A 28 3.290 14.496 2.057 1.00 54.04 H new ATOM 0 HG2 ARG A 28 3.761 14.334 -0.894 1.00 53.24 H new ATOM 0 HG3 ARG A 28 4.836 15.364 0.029 1.00 53.24 H new ATOM 0 HD2 ARG A 28 5.795 13.605 1.159 1.00 62.20 H new ATOM 0 HD3 ARG A 28 4.306 12.682 1.214 1.00 62.20 H new ATOM 0 HE ARG A 28 5.208 12.809 -1.503 1.00 42.15 H new ATOM 0 HH11 ARG A 28 6.030 11.383 1.620 1.00 2.51 H new ATOM 0 HH12 ARG A 28 6.832 9.983 0.900 1.00 2.51 H new ATOM 0 HH21 ARG A 28 6.239 11.006 -2.421 1.00 14.42 H new ATOM 0 HH22 ARG A 28 6.949 9.770 -1.378 1.00 14.42 H new ATOM 471 N ARG A 29 1.280 12.307 2.085 1.00 73.52 N ATOM 472 CA ARG A 29 1.258 10.894 2.444 1.00 72.31 C ATOM 473 C ARG A 29 0.270 10.126 1.570 1.00 65.21 C ATOM 474 O ARG A 29 0.518 8.979 1.197 1.00 34.33 O ATOM 475 CB ARG A 29 0.887 10.726 3.919 1.00 42.13 C ATOM 476 CG ARG A 29 2.055 10.307 4.796 1.00 22.42 C ATOM 477 CD ARG A 29 1.699 9.109 5.663 1.00 52.00 C ATOM 478 NE ARG A 29 2.252 9.224 7.010 1.00 41.13 N ATOM 479 CZ ARG A 29 1.763 10.039 7.938 1.00 62.11 C ATOM 480 NH1 ARG A 29 0.716 10.806 7.667 1.00 63.23 N ATOM 481 NH2 ARG A 29 2.322 10.087 9.141 1.00 55.23 N ATOM 0 H ARG A 29 0.937 12.933 2.814 1.00 73.52 H new ATOM 0 HA ARG A 29 2.256 10.488 2.278 1.00 72.31 H new ATOM 0 HB2 ARG A 29 0.482 11.667 4.293 1.00 42.13 H new ATOM 0 HB3 ARG A 29 0.095 9.982 4.003 1.00 42.13 H new ATOM 0 HG2 ARG A 29 2.912 10.062 4.169 1.00 22.42 H new ATOM 0 HG3 ARG A 29 2.352 11.142 5.431 1.00 22.42 H new ATOM 0 HD2 ARG A 29 0.615 9.015 5.723 1.00 52.00 H new ATOM 0 HD3 ARG A 29 2.073 8.199 5.194 1.00 52.00 H new ATOM 0 HE ARG A 29 3.058 8.647 7.251 1.00 41.13 H new ATOM 0 HH11 ARG A 29 0.284 10.771 6.744 1.00 63.23 H new ATOM 0 HH12 ARG A 29 0.343 11.431 8.382 1.00 63.23 H new ATOM 0 HH21 ARG A 29 3.127 9.498 9.353 1.00 55.23 H new ATOM 0 HH22 ARG A 29 1.946 10.713 9.853 1.00 55.23 H new ATOM 495 N ASP A 30 -0.848 10.766 1.247 1.00 1.02 N ATOM 496 CA ASP A 30 -1.873 10.144 0.417 1.00 64.03 C ATOM 497 C ASP A 30 -1.594 10.387 -1.063 1.00 61.13 C ATOM 498 O ASP A 30 -1.909 9.552 -1.910 1.00 23.30 O ATOM 499 CB ASP A 30 -3.255 10.686 0.784 1.00 60.33 C ATOM 500 CG ASP A 30 -4.007 9.764 1.723 1.00 75.31 C ATOM 501 OD1 ASP A 30 -3.380 9.233 2.663 1.00 24.22 O ATOM 502 OD2 ASP A 30 -5.224 9.574 1.518 1.00 34.42 O ATOM 0 H ASP A 30 -1.068 11.716 1.547 1.00 1.02 H new ATOM 0 HA ASP A 30 -1.852 9.070 0.601 1.00 64.03 H new ATOM 0 HB2 ASP A 30 -3.146 11.665 1.251 1.00 60.33 H new ATOM 0 HB3 ASP A 30 -3.839 10.829 -0.125 1.00 60.33 H new ATOM 507 N GLY A 31 -1.002 11.538 -1.368 1.00 23.11 N ATOM 508 CA GLY A 31 -0.692 11.871 -2.746 1.00 62.20 C ATOM 509 C GLY A 31 -0.585 13.366 -2.971 1.00 70.13 C ATOM 510 O GLY A 31 0.325 14.016 -2.457 1.00 24.21 O ATOM 0 H GLY A 31 -0.732 12.246 -0.685 1.00 23.11 H new ATOM 0 HA2 GLY A 31 0.247 11.396 -3.029 1.00 62.20 H new ATOM 0 HA3 GLY A 31 -1.464 11.463 -3.398 1.00 62.20 H new ATOM 514 N LYS A 32 -1.517 13.914 -3.744 1.00 45.21 N ATOM 515 CA LYS A 32 -1.524 15.342 -4.038 1.00 13.41 C ATOM 516 C LYS A 32 -1.518 16.162 -2.752 1.00 5.52 C ATOM 517 O LYS A 32 -1.983 15.702 -1.709 1.00 23.02 O ATOM 518 CB LYS A 32 -2.750 15.704 -4.880 1.00 11.24 C ATOM 519 CG LYS A 32 -2.967 14.781 -6.066 1.00 50.23 C ATOM 520 CD LYS A 32 -1.709 14.651 -6.909 1.00 53.40 C ATOM 521 CE LYS A 32 -1.256 16.001 -7.446 1.00 34.43 C ATOM 522 NZ LYS A 32 -2.370 16.737 -8.106 1.00 64.11 N ATOM 0 H LYS A 32 -2.277 13.390 -4.178 1.00 45.21 H new ATOM 0 HA LYS A 32 -0.621 15.576 -4.602 1.00 13.41 H new ATOM 0 HB2 LYS A 32 -3.636 15.681 -4.245 1.00 11.24 H new ATOM 0 HB3 LYS A 32 -2.643 16.727 -5.241 1.00 11.24 H new ATOM 0 HG2 LYS A 32 -3.272 13.796 -5.711 1.00 50.23 H new ATOM 0 HG3 LYS A 32 -3.781 15.164 -6.682 1.00 50.23 H new ATOM 0 HD2 LYS A 32 -0.912 14.211 -6.310 1.00 53.40 H new ATOM 0 HD3 LYS A 32 -1.895 13.971 -7.741 1.00 53.40 H new ATOM 0 HE2 LYS A 32 -0.858 16.602 -6.629 1.00 34.43 H new ATOM 0 HE3 LYS A 32 -0.445 15.855 -8.159 1.00 34.43 H new ATOM 0 HZ1 LYS A 32 -2.005 17.250 -8.934 1.00 64.11 H new ATOM 0 HZ2 LYS A 32 -3.099 16.062 -8.411 1.00 64.11 H new ATOM 0 HZ3 LYS A 32 -2.785 17.414 -7.434 1.00 64.11 H new ATOM 536 N ILE A 33 -0.989 17.379 -2.834 1.00 31.21 N ATOM 537 CA ILE A 33 -0.925 18.263 -1.677 1.00 30.01 C ATOM 538 C ILE A 33 -1.629 19.586 -1.957 1.00 13.35 C ATOM 539 O ILE A 33 -1.685 20.041 -3.099 1.00 3.23 O ATOM 540 CB ILE A 33 0.532 18.547 -1.265 1.00 73.41 C ATOM 541 CG1 ILE A 33 1.372 17.273 -1.373 1.00 23.32 C ATOM 542 CG2 ILE A 33 0.583 19.104 0.150 1.00 62.33 C ATOM 543 CD1 ILE A 33 2.821 17.470 -0.985 1.00 10.22 C ATOM 0 H ILE A 33 -0.599 17.775 -3.689 1.00 31.21 H new ATOM 0 HA ILE A 33 -1.432 17.750 -0.860 1.00 30.01 H new ATOM 0 HB ILE A 33 0.948 19.292 -1.943 1.00 73.41 H new ATOM 0 HG12 ILE A 33 0.935 16.504 -0.736 1.00 23.32 H new ATOM 0 HG13 ILE A 33 1.326 16.903 -2.397 1.00 23.32 H new ATOM 0 HG21 ILE A 33 1.619 19.300 0.427 1.00 62.33 H new ATOM 0 HG22 ILE A 33 0.013 20.032 0.196 1.00 62.33 H new ATOM 0 HG23 ILE A 33 0.153 18.380 0.842 1.00 62.33 H new ATOM 0 HD11 ILE A 33 3.356 16.526 -1.086 1.00 10.22 H new ATOM 0 HD12 ILE A 33 3.274 18.216 -1.638 1.00 10.22 H new ATOM 0 HD13 ILE A 33 2.878 17.811 0.049 1.00 10.22 H new ATOM 555 N GLN A 34 -2.164 20.199 -0.906 1.00 13.34 N ATOM 556 CA GLN A 34 -2.864 21.472 -1.038 1.00 71.55 C ATOM 557 C GLN A 34 -2.716 22.309 0.228 1.00 73.04 C ATOM 558 O GLN A 34 -2.764 21.785 1.340 1.00 35.43 O ATOM 559 CB GLN A 34 -4.345 21.234 -1.337 1.00 54.11 C ATOM 560 CG GLN A 34 -4.591 20.471 -2.629 1.00 10.22 C ATOM 561 CD GLN A 34 -4.526 18.968 -2.440 1.00 54.43 C ATOM 562 OE1 GLN A 34 -4.466 18.474 -1.314 1.00 13.41 O ATOM 563 NE2 GLN A 34 -4.539 18.232 -3.545 1.00 64.21 N ATOM 0 H GLN A 34 -2.126 19.835 0.046 1.00 13.34 H new ATOM 0 HA GLN A 34 -2.417 22.020 -1.867 1.00 71.55 H new ATOM 0 HB2 GLN A 34 -4.790 20.682 -0.509 1.00 54.11 H new ATOM 0 HB3 GLN A 34 -4.855 22.196 -1.390 1.00 54.11 H new ATOM 0 HG2 GLN A 34 -5.570 20.742 -3.026 1.00 10.22 H new ATOM 0 HG3 GLN A 34 -3.852 20.772 -3.371 1.00 10.22 H new ATOM 0 HE21 GLN A 34 -4.590 18.684 -4.458 1.00 64.21 H new ATOM 0 HE22 GLN A 34 -4.498 17.215 -3.481 1.00 64.21 H new ATOM 572 N VAL A 35 -2.536 23.614 0.050 1.00 24.13 N ATOM 573 CA VAL A 35 -2.381 24.525 1.178 1.00 34.45 C ATOM 574 C VAL A 35 -2.811 25.939 0.806 1.00 42.13 C ATOM 575 O VAL A 35 -2.690 26.353 -0.348 1.00 12.52 O ATOM 576 CB VAL A 35 -0.925 24.557 1.678 1.00 1.05 C ATOM 577 CG1 VAL A 35 -0.612 23.311 2.493 1.00 11.44 C ATOM 578 CG2 VAL A 35 0.037 24.694 0.508 1.00 71.21 C ATOM 0 H VAL A 35 -2.494 24.064 -0.864 1.00 24.13 H new ATOM 0 HA VAL A 35 -3.023 24.152 1.976 1.00 34.45 H new ATOM 0 HB VAL A 35 -0.801 25.425 2.325 1.00 1.05 H new ATOM 0 HG11 VAL A 35 0.421 23.352 2.838 1.00 11.44 H new ATOM 0 HG12 VAL A 35 -1.280 23.262 3.353 1.00 11.44 H new ATOM 0 HG13 VAL A 35 -0.753 22.426 1.873 1.00 11.44 H new ATOM 0 HG21 VAL A 35 1.061 24.715 0.880 1.00 71.21 H new ATOM 0 HG22 VAL A 35 -0.087 23.847 -0.166 1.00 71.21 H new ATOM 0 HG23 VAL A 35 -0.173 25.619 -0.029 1.00 71.21 H new ATOM 588 N THR A 36 -3.313 26.678 1.790 1.00 0.11 N ATOM 589 CA THR A 36 -3.761 28.047 1.566 1.00 34.42 C ATOM 590 C THR A 36 -2.594 29.025 1.627 1.00 63.34 C ATOM 591 O THR A 36 -1.584 28.762 2.280 1.00 63.32 O ATOM 592 CB THR A 36 -4.822 28.467 2.601 1.00 31.32 C ATOM 593 OG1 THR A 36 -4.433 28.028 3.907 1.00 20.54 O ATOM 594 CG2 THR A 36 -6.182 27.884 2.249 1.00 74.20 C ATOM 0 H THR A 36 -3.420 26.351 2.750 1.00 0.11 H new ATOM 0 HA THR A 36 -4.203 28.075 0.570 1.00 34.42 H new ATOM 0 HB THR A 36 -4.897 29.554 2.591 1.00 31.32 H new ATOM 0 HG1 THR A 36 -4.768 27.120 4.060 1.00 20.54 H new ATOM 0 HG21 THR A 36 -6.915 28.194 2.994 1.00 74.20 H new ATOM 0 HG22 THR A 36 -6.489 28.243 1.267 1.00 74.20 H new ATOM 0 HG23 THR A 36 -6.119 26.796 2.234 1.00 74.20 H new ATOM 602 N PHE A 37 -2.738 30.154 0.942 1.00 12.51 N ATOM 603 CA PHE A 37 -1.694 31.173 0.918 1.00 74.51 C ATOM 604 C PHE A 37 -1.261 31.541 2.334 1.00 61.32 C ATOM 605 O PHE A 37 -0.072 31.547 2.649 1.00 63.11 O ATOM 606 CB PHE A 37 -2.187 32.421 0.182 1.00 22.34 C ATOM 607 CG PHE A 37 -1.351 33.641 0.446 1.00 32.42 C ATOM 608 CD1 PHE A 37 0.032 33.574 0.391 1.00 53.53 C ATOM 609 CD2 PHE A 37 -1.949 34.853 0.749 1.00 44.51 C ATOM 610 CE1 PHE A 37 0.803 34.695 0.634 1.00 52.42 C ATOM 611 CE2 PHE A 37 -1.183 35.978 0.993 1.00 64.04 C ATOM 612 CZ PHE A 37 0.195 35.899 0.934 1.00 71.11 C ATOM 0 H PHE A 37 -3.567 30.387 0.396 1.00 12.51 H new ATOM 0 HA PHE A 37 -0.833 30.764 0.389 1.00 74.51 H new ATOM 0 HB2 PHE A 37 -2.196 32.221 -0.890 1.00 22.34 H new ATOM 0 HB3 PHE A 37 -3.216 32.625 0.477 1.00 22.34 H new ATOM 0 HD1 PHE A 37 0.513 32.636 0.156 1.00 53.53 H new ATOM 0 HD2 PHE A 37 -3.026 34.920 0.795 1.00 44.51 H new ATOM 0 HE1 PHE A 37 1.880 34.630 0.589 1.00 52.42 H new ATOM 0 HE2 PHE A 37 -1.661 36.917 1.229 1.00 64.04 H new ATOM 0 HZ PHE A 37 0.796 36.777 1.122 1.00 71.11 H new ATOM 622 N GLY A 38 -2.236 31.848 3.184 1.00 40.10 N ATOM 623 CA GLY A 38 -1.936 32.214 4.556 1.00 50.11 C ATOM 624 C GLY A 38 -1.028 31.210 5.238 1.00 11.34 C ATOM 625 O GLY A 38 -0.040 31.586 5.868 1.00 11.23 O ATOM 0 H GLY A 38 -3.228 31.850 2.947 1.00 40.10 H new ATOM 0 HA2 GLY A 38 -1.463 33.196 4.572 1.00 50.11 H new ATOM 0 HA3 GLY A 38 -2.866 32.299 5.118 1.00 50.11 H new ATOM 629 N GLU A 39 -1.365 29.930 5.115 1.00 44.25 N ATOM 630 CA GLU A 39 -0.573 28.870 5.727 1.00 2.24 C ATOM 631 C GLU A 39 0.819 28.801 5.105 1.00 52.40 C ATOM 632 O GLU A 39 1.828 28.786 5.812 1.00 75.32 O ATOM 633 CB GLU A 39 -1.279 27.522 5.574 1.00 73.41 C ATOM 634 CG GLU A 39 -2.205 27.184 6.731 1.00 50.44 C ATOM 635 CD GLU A 39 -3.167 26.060 6.399 1.00 23.24 C ATOM 636 OE1 GLU A 39 -2.759 24.883 6.493 1.00 55.11 O ATOM 637 OE2 GLU A 39 -4.327 26.357 6.047 1.00 54.24 O ATOM 0 H GLU A 39 -2.181 29.602 4.597 1.00 44.25 H new ATOM 0 HA GLU A 39 -0.467 29.098 6.788 1.00 2.24 H new ATOM 0 HB2 GLU A 39 -1.855 27.526 4.648 1.00 73.41 H new ATOM 0 HB3 GLU A 39 -0.529 26.737 5.479 1.00 73.41 H new ATOM 0 HG2 GLU A 39 -1.608 26.902 7.599 1.00 50.44 H new ATOM 0 HG3 GLU A 39 -2.772 28.072 7.009 1.00 50.44 H new ATOM 644 N LEU A 40 0.865 28.760 3.778 1.00 24.10 N ATOM 645 CA LEU A 40 2.133 28.692 3.059 1.00 53.34 C ATOM 646 C LEU A 40 3.062 29.824 3.485 1.00 22.13 C ATOM 647 O LEU A 40 4.203 29.588 3.882 1.00 24.33 O ATOM 648 CB LEU A 40 1.889 28.758 1.550 1.00 44.21 C ATOM 649 CG LEU A 40 2.371 27.555 0.739 1.00 31.51 C ATOM 650 CD1 LEU A 40 2.008 27.720 -0.728 1.00 70.35 C ATOM 651 CD2 LEU A 40 3.873 27.368 0.901 1.00 15.44 C ATOM 0 H LEU A 40 0.040 28.773 3.178 1.00 24.10 H new ATOM 0 HA LEU A 40 2.611 27.743 3.303 1.00 53.34 H new ATOM 0 HB2 LEU A 40 0.819 28.880 1.380 1.00 44.21 H new ATOM 0 HB3 LEU A 40 2.378 29.652 1.162 1.00 44.21 H new ATOM 0 HG LEU A 40 1.872 26.663 1.118 1.00 31.51 H new ATOM 0 HD11 LEU A 40 2.359 26.854 -1.289 1.00 70.35 H new ATOM 0 HD12 LEU A 40 0.926 27.803 -0.828 1.00 70.35 H new ATOM 0 HD13 LEU A 40 2.478 28.622 -1.120 1.00 70.35 H new ATOM 0 HD21 LEU A 40 4.198 26.507 0.317 1.00 15.44 H new ATOM 0 HD22 LEU A 40 4.391 28.261 0.550 1.00 15.44 H new ATOM 0 HD23 LEU A 40 4.108 27.202 1.952 1.00 15.44 H new ATOM 663 N PHE A 41 2.565 31.054 3.403 1.00 63.32 N ATOM 664 CA PHE A 41 3.351 32.223 3.782 1.00 73.54 C ATOM 665 C PHE A 41 3.835 32.108 5.224 1.00 14.42 C ATOM 666 O PHE A 41 5.021 32.278 5.508 1.00 55.02 O ATOM 667 CB PHE A 41 2.523 33.498 3.609 1.00 73.52 C ATOM 668 CG PHE A 41 3.354 34.746 3.533 1.00 12.30 C ATOM 669 CD1 PHE A 41 3.883 35.170 2.325 1.00 62.34 C ATOM 670 CD2 PHE A 41 3.605 35.497 4.670 1.00 1.20 C ATOM 671 CE1 PHE A 41 4.649 36.318 2.252 1.00 31.04 C ATOM 672 CE2 PHE A 41 4.370 36.647 4.604 1.00 72.21 C ATOM 673 CZ PHE A 41 4.891 37.058 3.393 1.00 5.11 C ATOM 0 H PHE A 41 1.622 31.267 3.078 1.00 63.32 H new ATOM 0 HA PHE A 41 4.222 32.273 3.128 1.00 73.54 H new ATOM 0 HB2 PHE A 41 1.925 33.413 2.701 1.00 73.52 H new ATOM 0 HB3 PHE A 41 1.826 33.585 4.443 1.00 73.52 H new ATOM 0 HD1 PHE A 41 3.695 34.597 1.429 1.00 62.34 H new ATOM 0 HD2 PHE A 41 3.198 35.180 5.619 1.00 1.20 H new ATOM 0 HE1 PHE A 41 5.058 36.636 1.304 1.00 31.04 H new ATOM 0 HE2 PHE A 41 4.560 37.223 5.498 1.00 72.21 H new ATOM 0 HZ PHE A 41 5.487 37.957 3.338 1.00 5.11 H new ATOM 683 N ASP A 42 2.908 31.821 6.132 1.00 71.45 N ATOM 684 CA ASP A 42 3.239 31.683 7.545 1.00 14.22 C ATOM 685 C ASP A 42 4.296 30.603 7.753 1.00 13.25 C ATOM 686 O ASP A 42 4.954 30.558 8.793 1.00 63.34 O ATOM 687 CB ASP A 42 1.984 31.349 8.354 1.00 2.32 C ATOM 688 CG ASP A 42 1.431 32.555 9.089 1.00 24.40 C ATOM 689 OD1 ASP A 42 1.101 33.557 8.421 1.00 32.01 O ATOM 690 OD2 ASP A 42 1.329 32.495 10.332 1.00 54.30 O ATOM 0 H ASP A 42 1.922 31.680 5.914 1.00 71.45 H new ATOM 0 HA ASP A 42 3.644 32.633 7.893 1.00 14.22 H new ATOM 0 HB2 ASP A 42 1.220 30.952 7.686 1.00 2.32 H new ATOM 0 HB3 ASP A 42 2.217 30.564 9.073 1.00 2.32 H new ATOM 695 N ARG A 43 4.451 29.735 6.759 1.00 3.22 N ATOM 696 CA ARG A 43 5.427 28.654 6.835 1.00 55.04 C ATOM 697 C ARG A 43 6.742 29.061 6.176 1.00 15.23 C ATOM 698 O ARG A 43 7.819 28.663 6.620 1.00 51.30 O ATOM 699 CB ARG A 43 4.876 27.394 6.163 1.00 2.50 C ATOM 700 CG ARG A 43 5.932 26.333 5.901 1.00 42.21 C ATOM 701 CD ARG A 43 6.630 25.913 7.185 1.00 62.22 C ATOM 702 NE ARG A 43 5.723 25.227 8.101 1.00 25.25 N ATOM 703 CZ ARG A 43 6.135 24.464 9.109 1.00 54.45 C ATOM 704 NH1 ARG A 43 7.431 24.292 9.327 1.00 32.33 N ATOM 705 NH2 ARG A 43 5.248 23.873 9.899 1.00 3.25 N ATOM 0 H ARG A 43 3.914 29.759 5.892 1.00 3.22 H new ATOM 0 HA ARG A 43 5.618 28.443 7.887 1.00 55.04 H new ATOM 0 HB2 ARG A 43 4.094 26.969 6.792 1.00 2.50 H new ATOM 0 HB3 ARG A 43 4.409 27.671 5.218 1.00 2.50 H new ATOM 0 HG2 ARG A 43 5.468 25.463 5.437 1.00 42.21 H new ATOM 0 HG3 ARG A 43 6.668 26.717 5.194 1.00 42.21 H new ATOM 0 HD2 ARG A 43 7.467 25.257 6.945 1.00 62.22 H new ATOM 0 HD3 ARG A 43 7.045 26.793 7.677 1.00 62.22 H new ATOM 0 HE ARG A 43 4.719 25.339 7.960 1.00 25.25 H new ATOM 0 HH11 ARG A 43 8.115 24.745 8.721 1.00 32.33 H new ATOM 0 HH12 ARG A 43 7.745 23.706 10.101 1.00 32.33 H new ATOM 0 HH21 ARG A 43 4.250 24.004 9.733 1.00 3.25 H new ATOM 0 HH22 ARG A 43 5.564 23.288 10.672 1.00 3.25 H new ATOM 719 N TYR A 44 6.645 29.856 5.116 1.00 21.50 N ATOM 720 CA TYR A 44 7.826 30.314 4.395 1.00 44.13 C ATOM 721 C TYR A 44 8.505 31.463 5.135 1.00 70.41 C ATOM 722 O TYR A 44 9.709 31.681 4.996 1.00 14.14 O ATOM 723 CB TYR A 44 7.446 30.758 2.981 1.00 22.30 C ATOM 724 CG TYR A 44 7.911 29.806 1.902 1.00 4.11 C ATOM 725 CD1 TYR A 44 7.109 28.751 1.486 1.00 31.43 C ATOM 726 CD2 TYR A 44 9.153 29.961 1.299 1.00 4.52 C ATOM 727 CE1 TYR A 44 7.530 27.878 0.501 1.00 10.14 C ATOM 728 CE2 TYR A 44 9.582 29.095 0.313 1.00 60.24 C ATOM 729 CZ TYR A 44 8.767 28.055 -0.083 1.00 31.33 C ATOM 730 OH TYR A 44 9.191 27.188 -1.064 1.00 51.32 O ATOM 0 H TYR A 44 5.761 30.196 4.737 1.00 21.50 H new ATOM 0 HA TYR A 44 8.527 29.482 4.332 1.00 44.13 H new ATOM 0 HB2 TYR A 44 6.363 30.861 2.920 1.00 22.30 H new ATOM 0 HB3 TYR A 44 7.871 31.744 2.792 1.00 22.30 H new ATOM 0 HD1 TYR A 44 6.139 28.611 1.940 1.00 31.43 H new ATOM 0 HD2 TYR A 44 9.794 30.773 1.607 1.00 4.52 H new ATOM 0 HE1 TYR A 44 6.894 27.062 0.190 1.00 10.14 H new ATOM 0 HE2 TYR A 44 10.550 29.231 -0.146 1.00 60.24 H new ATOM 0 HH TYR A 44 10.083 27.453 -1.371 1.00 51.32 H new ATOM 740 N VAL A 45 7.723 32.194 5.923 1.00 42.22 N ATOM 741 CA VAL A 45 8.247 33.320 6.687 1.00 20.34 C ATOM 742 C VAL A 45 9.399 32.885 7.586 1.00 21.22 C ATOM 743 O VAL A 45 10.284 33.679 7.906 1.00 32.24 O ATOM 744 CB VAL A 45 7.151 33.968 7.554 1.00 41.22 C ATOM 745 CG1 VAL A 45 6.093 34.620 6.677 1.00 74.41 C ATOM 746 CG2 VAL A 45 6.526 32.937 8.481 1.00 0.23 C ATOM 0 H VAL A 45 6.725 32.027 6.049 1.00 42.22 H new ATOM 0 HA VAL A 45 8.609 34.052 5.965 1.00 20.34 H new ATOM 0 HB VAL A 45 7.609 34.744 8.168 1.00 41.22 H new ATOM 0 HG11 VAL A 45 5.327 35.073 7.307 1.00 74.41 H new ATOM 0 HG12 VAL A 45 6.556 35.389 6.059 1.00 74.41 H new ATOM 0 HG13 VAL A 45 5.637 33.866 6.036 1.00 74.41 H new ATOM 0 HG21 VAL A 45 5.754 33.412 9.086 1.00 0.23 H new ATOM 0 HG22 VAL A 45 6.082 32.137 7.889 1.00 0.23 H new ATOM 0 HG23 VAL A 45 7.294 32.522 9.134 1.00 0.23 H new ATOM 756 N ARG A 46 9.382 31.619 7.990 1.00 61.33 N ATOM 757 CA ARG A 46 10.425 31.078 8.853 1.00 63.24 C ATOM 758 C ARG A 46 11.572 30.503 8.025 1.00 14.43 C ATOM 759 O ARG A 46 12.454 29.827 8.555 1.00 71.03 O ATOM 760 CB ARG A 46 9.850 29.995 9.767 1.00 32.12 C ATOM 761 CG ARG A 46 9.951 30.330 11.246 1.00 13.03 C ATOM 762 CD ARG A 46 9.781 29.091 12.111 1.00 30.31 C ATOM 763 NE ARG A 46 11.041 28.670 12.717 1.00 21.43 N ATOM 764 CZ ARG A 46 11.142 27.662 13.577 1.00 5.11 C ATOM 765 NH1 ARG A 46 10.064 26.976 13.929 1.00 21.15 N ATOM 766 NH2 ARG A 46 12.325 27.339 14.086 1.00 74.21 N ATOM 0 H ARG A 46 8.657 30.949 7.733 1.00 61.33 H new ATOM 0 HA ARG A 46 10.813 31.892 9.465 1.00 63.24 H new ATOM 0 HB2 ARG A 46 8.803 29.833 9.510 1.00 32.12 H new ATOM 0 HB3 ARG A 46 10.373 29.057 9.579 1.00 32.12 H new ATOM 0 HG2 ARG A 46 10.919 30.788 11.451 1.00 13.03 H new ATOM 0 HG3 ARG A 46 9.189 31.064 11.507 1.00 13.03 H new ATOM 0 HD2 ARG A 46 9.051 29.294 12.895 1.00 30.31 H new ATOM 0 HD3 ARG A 46 9.381 28.278 11.505 1.00 30.31 H new ATOM 0 HE ARG A 46 11.890 29.177 12.467 1.00 21.43 H new ATOM 0 HH11 ARG A 46 9.154 27.221 13.540 1.00 21.15 H new ATOM 0 HH12 ARG A 46 10.145 26.203 14.589 1.00 21.15 H new ATOM 0 HH21 ARG A 46 13.157 27.865 13.817 1.00 74.21 H new ATOM 0 HH22 ARG A 46 12.402 26.565 14.746 1.00 74.21 H new ATOM 780 N ILE A 47 11.551 30.777 6.725 1.00 2.23 N ATOM 781 CA ILE A 47 12.589 30.288 5.826 1.00 53.33 C ATOM 782 C ILE A 47 13.115 31.407 4.934 1.00 51.45 C ATOM 783 O ILE A 47 14.243 31.870 5.101 1.00 0.42 O ATOM 784 CB ILE A 47 12.070 29.141 4.939 1.00 70.02 C ATOM 785 CG1 ILE A 47 11.606 27.968 5.805 1.00 74.04 C ATOM 786 CG2 ILE A 47 13.151 28.693 3.966 1.00 13.22 C ATOM 787 CD1 ILE A 47 10.661 27.027 5.091 1.00 73.14 C ATOM 0 H ILE A 47 10.827 31.334 6.271 1.00 2.23 H new ATOM 0 HA ILE A 47 13.399 29.914 6.452 1.00 53.33 H new ATOM 0 HB ILE A 47 11.218 29.503 4.364 1.00 70.02 H new ATOM 0 HG12 ILE A 47 12.478 27.408 6.141 1.00 74.04 H new ATOM 0 HG13 ILE A 47 11.114 28.357 6.696 1.00 74.04 H new ATOM 0 HG21 ILE A 47 12.769 27.882 3.346 1.00 13.22 H new ATOM 0 HG22 ILE A 47 13.439 29.531 3.331 1.00 13.22 H new ATOM 0 HG23 ILE A 47 14.021 28.345 4.523 1.00 13.22 H new ATOM 0 HD11 ILE A 47 10.373 26.220 5.765 1.00 73.14 H new ATOM 0 HD12 ILE A 47 9.771 27.573 4.778 1.00 73.14 H new ATOM 0 HD13 ILE A 47 11.157 26.609 4.215 1.00 73.14 H new ATOM 799 N SER A 48 12.289 31.839 3.986 1.00 50.13 N ATOM 800 CA SER A 48 12.671 32.903 3.065 1.00 4.31 C ATOM 801 C SER A 48 11.655 34.041 3.097 1.00 22.24 C ATOM 802 O SER A 48 12.007 35.207 2.918 1.00 14.15 O ATOM 803 CB SER A 48 12.796 32.355 1.642 1.00 14.31 C ATOM 804 OG SER A 48 13.901 32.931 0.968 1.00 2.44 O ATOM 0 H SER A 48 11.351 31.468 3.836 1.00 50.13 H new ATOM 0 HA SER A 48 13.638 33.294 3.382 1.00 4.31 H new ATOM 0 HB2 SER A 48 12.911 31.272 1.675 1.00 14.31 H new ATOM 0 HB3 SER A 48 11.880 32.562 1.088 1.00 14.31 H new ATOM 0 HG SER A 48 14.067 32.442 0.135 1.00 2.44 H new ATOM 810 N ASP A 49 10.394 33.692 3.327 1.00 40.44 N ATOM 811 CA ASP A 49 9.325 34.683 3.384 1.00 44.03 C ATOM 812 C ASP A 49 9.072 35.289 2.007 1.00 74.43 C ATOM 813 O ASP A 49 9.267 36.486 1.797 1.00 13.14 O ATOM 814 CB ASP A 49 9.677 35.786 4.383 1.00 54.41 C ATOM 815 CG ASP A 49 8.458 36.567 4.836 1.00 22.50 C ATOM 816 OD1 ASP A 49 7.734 37.095 3.966 1.00 21.40 O ATOM 817 OD2 ASP A 49 8.228 36.648 6.061 1.00 43.35 O ATOM 0 H ASP A 49 10.087 32.731 3.477 1.00 40.44 H new ATOM 0 HA ASP A 49 8.415 34.182 3.713 1.00 44.03 H new ATOM 0 HB2 ASP A 49 10.165 35.344 5.251 1.00 54.41 H new ATOM 0 HB3 ASP A 49 10.394 36.469 3.928 1.00 54.41 H new ATOM 822 N LYS A 50 8.636 34.453 1.070 1.00 44.03 N ATOM 823 CA LYS A 50 8.355 34.904 -0.288 1.00 4.51 C ATOM 824 C LYS A 50 7.758 33.777 -1.123 1.00 72.14 C ATOM 825 O LYS A 50 8.067 33.636 -2.307 1.00 1.43 O ATOM 826 CB LYS A 50 9.634 35.422 -0.950 1.00 63.34 C ATOM 827 CG LYS A 50 10.652 34.333 -1.240 1.00 65.43 C ATOM 828 CD LYS A 50 11.972 34.601 -0.536 1.00 41.25 C ATOM 829 CE LYS A 50 12.589 35.915 -0.991 1.00 13.33 C ATOM 830 NZ LYS A 50 14.059 35.947 -0.759 1.00 3.31 N ATOM 0 H LYS A 50 8.470 33.459 1.227 1.00 44.03 H new ATOM 0 HA LYS A 50 7.628 35.714 -0.232 1.00 4.51 H new ATOM 0 HB2 LYS A 50 9.374 35.922 -1.883 1.00 63.34 H new ATOM 0 HB3 LYS A 50 10.090 36.171 -0.303 1.00 63.34 H new ATOM 0 HG2 LYS A 50 10.257 33.369 -0.919 1.00 65.43 H new ATOM 0 HG3 LYS A 50 10.819 34.267 -2.315 1.00 65.43 H new ATOM 0 HD2 LYS A 50 11.812 34.627 0.542 1.00 41.25 H new ATOM 0 HD3 LYS A 50 12.665 33.784 -0.736 1.00 41.25 H new ATOM 0 HE2 LYS A 50 12.385 36.064 -2.051 1.00 13.33 H new ATOM 0 HE3 LYS A 50 12.119 36.741 -0.457 1.00 13.33 H new ATOM 0 HZ1 LYS A 50 14.442 36.858 -1.082 1.00 3.31 H new ATOM 0 HZ2 LYS A 50 14.253 35.830 0.256 1.00 3.31 H new ATOM 0 HZ3 LYS A 50 14.511 35.174 -1.289 1.00 3.31 H new ATOM 844 N VAL A 51 6.899 32.976 -0.501 1.00 11.04 N ATOM 845 CA VAL A 51 6.256 31.862 -1.188 1.00 12.43 C ATOM 846 C VAL A 51 5.569 32.329 -2.466 1.00 75.42 C ATOM 847 O VAL A 51 5.702 31.705 -3.519 1.00 24.41 O ATOM 848 CB VAL A 51 5.219 31.169 -0.284 1.00 60.21 C ATOM 849 CG1 VAL A 51 4.234 32.184 0.276 1.00 63.02 C ATOM 850 CG2 VAL A 51 4.491 30.075 -1.051 1.00 44.02 C ATOM 0 H VAL A 51 6.632 33.078 0.478 1.00 11.04 H new ATOM 0 HA VAL A 51 7.041 31.149 -1.440 1.00 12.43 H new ATOM 0 HB VAL A 51 5.743 30.708 0.553 1.00 60.21 H new ATOM 0 HG11 VAL A 51 3.509 31.675 0.912 1.00 63.02 H new ATOM 0 HG12 VAL A 51 4.773 32.928 0.863 1.00 63.02 H new ATOM 0 HG13 VAL A 51 3.713 32.677 -0.545 1.00 63.02 H new ATOM 0 HG21 VAL A 51 3.762 29.596 -0.397 1.00 44.02 H new ATOM 0 HG22 VAL A 51 3.978 30.511 -1.908 1.00 44.02 H new ATOM 0 HG23 VAL A 51 5.210 29.333 -1.398 1.00 44.02 H new ATOM 860 N VAL A 52 4.832 33.431 -2.367 1.00 70.25 N ATOM 861 CA VAL A 52 4.124 33.983 -3.517 1.00 22.35 C ATOM 862 C VAL A 52 5.078 34.241 -4.677 1.00 60.45 C ATOM 863 O VAL A 52 4.714 34.078 -5.841 1.00 63.24 O ATOM 864 CB VAL A 52 3.406 35.296 -3.155 1.00 53.32 C ATOM 865 CG1 VAL A 52 2.859 35.968 -4.406 1.00 30.42 C ATOM 866 CG2 VAL A 52 2.294 35.036 -2.150 1.00 73.14 C ATOM 0 H VAL A 52 4.710 33.959 -1.503 1.00 70.25 H new ATOM 0 HA VAL A 52 3.383 33.243 -3.818 1.00 22.35 H new ATOM 0 HB VAL A 52 4.129 35.970 -2.696 1.00 53.32 H new ATOM 0 HG11 VAL A 52 2.355 36.894 -4.131 1.00 30.42 H new ATOM 0 HG12 VAL A 52 3.680 36.190 -5.088 1.00 30.42 H new ATOM 0 HG13 VAL A 52 2.150 35.301 -4.897 1.00 30.42 H new ATOM 0 HG21 VAL A 52 1.797 35.975 -1.906 1.00 73.14 H new ATOM 0 HG22 VAL A 52 1.570 34.344 -2.580 1.00 73.14 H new ATOM 0 HG23 VAL A 52 2.717 34.603 -1.244 1.00 73.14 H new ATOM 876 N GLY A 53 6.303 34.644 -4.352 1.00 55.10 N ATOM 877 CA GLY A 53 7.291 34.918 -5.379 1.00 33.01 C ATOM 878 C GLY A 53 7.784 33.657 -6.060 1.00 22.23 C ATOM 879 O GLY A 53 8.108 33.671 -7.248 1.00 32.13 O ATOM 0 H GLY A 53 6.629 34.786 -3.396 1.00 55.10 H new ATOM 0 HA2 GLY A 53 6.860 35.585 -6.125 1.00 33.01 H new ATOM 0 HA3 GLY A 53 8.137 35.442 -4.934 1.00 33.01 H new ATOM 883 N ILE A 54 7.844 32.564 -5.306 1.00 52.10 N ATOM 884 CA ILE A 54 8.302 31.289 -5.844 1.00 41.53 C ATOM 885 C ILE A 54 7.218 30.627 -6.687 1.00 72.13 C ATOM 886 O ILE A 54 7.511 29.934 -7.662 1.00 71.44 O ATOM 887 CB ILE A 54 8.726 30.324 -4.722 1.00 34.13 C ATOM 888 CG1 ILE A 54 9.827 30.953 -3.867 1.00 4.14 C ATOM 889 CG2 ILE A 54 9.194 29.001 -5.310 1.00 2.24 C ATOM 890 CD1 ILE A 54 9.611 30.781 -2.379 1.00 54.05 C ATOM 0 H ILE A 54 7.581 32.536 -4.321 1.00 52.10 H new ATOM 0 HA ILE A 54 9.166 31.504 -6.472 1.00 41.53 H new ATOM 0 HB ILE A 54 7.864 30.131 -4.084 1.00 34.13 H new ATOM 0 HG12 ILE A 54 10.785 30.511 -4.140 1.00 4.14 H new ATOM 0 HG13 ILE A 54 9.890 32.017 -4.096 1.00 4.14 H new ATOM 0 HG21 ILE A 54 9.490 28.329 -4.504 1.00 2.24 H new ATOM 0 HG22 ILE A 54 8.382 28.548 -5.879 1.00 2.24 H new ATOM 0 HG23 ILE A 54 10.045 29.176 -5.968 1.00 2.24 H new ATOM 0 HD11 ILE A 54 10.430 31.252 -1.836 1.00 54.05 H new ATOM 0 HD12 ILE A 54 8.669 31.248 -2.092 1.00 54.05 H new ATOM 0 HD13 ILE A 54 9.578 29.719 -2.137 1.00 54.05 H new ATOM 902 N LEU A 55 5.964 30.846 -6.307 1.00 21.23 N ATOM 903 CA LEU A 55 4.834 30.272 -7.029 1.00 30.43 C ATOM 904 C LEU A 55 4.928 30.579 -8.520 1.00 33.31 C ATOM 905 O LEU A 55 4.479 29.794 -9.355 1.00 32.45 O ATOM 906 CB LEU A 55 3.517 30.811 -6.467 1.00 44.00 C ATOM 907 CG LEU A 55 3.140 30.332 -5.065 1.00 13.32 C ATOM 908 CD1 LEU A 55 1.769 30.861 -4.672 1.00 31.34 C ATOM 909 CD2 LEU A 55 3.168 28.812 -4.994 1.00 53.55 C ATOM 0 H LEU A 55 5.704 31.417 -5.503 1.00 21.23 H new ATOM 0 HA LEU A 55 4.862 29.190 -6.897 1.00 30.43 H new ATOM 0 HB2 LEU A 55 3.568 31.900 -6.456 1.00 44.00 H new ATOM 0 HB3 LEU A 55 2.714 30.537 -7.151 1.00 44.00 H new ATOM 0 HG LEU A 55 3.874 30.721 -4.359 1.00 13.32 H new ATOM 0 HD11 LEU A 55 1.517 30.510 -3.671 1.00 31.34 H new ATOM 0 HD12 LEU A 55 1.783 31.951 -4.682 1.00 31.34 H new ATOM 0 HD13 LEU A 55 1.023 30.501 -5.381 1.00 31.34 H new ATOM 0 HD21 LEU A 55 2.897 28.490 -3.989 1.00 53.55 H new ATOM 0 HD22 LEU A 55 2.457 28.401 -5.711 1.00 53.55 H new ATOM 0 HD23 LEU A 55 4.170 28.455 -5.232 1.00 53.55 H new ATOM 921 N MET A 56 5.516 31.725 -8.847 1.00 34.21 N ATOM 922 CA MET A 56 5.671 32.134 -10.238 1.00 63.30 C ATOM 923 C MET A 56 6.490 31.110 -11.017 1.00 63.52 C ATOM 924 O MET A 56 6.244 30.874 -12.200 1.00 75.01 O ATOM 925 CB MET A 56 6.342 33.507 -10.316 1.00 71.55 C ATOM 926 CG MET A 56 5.638 34.575 -9.496 1.00 33.45 C ATOM 927 SD MET A 56 4.797 35.797 -10.521 1.00 4.04 S ATOM 928 CE MET A 56 5.760 37.263 -10.157 1.00 11.13 C ATOM 0 H MET A 56 5.893 32.386 -8.168 1.00 34.21 H new ATOM 0 HA MET A 56 4.679 32.196 -10.686 1.00 63.30 H new ATOM 0 HB2 MET A 56 7.373 33.418 -9.973 1.00 71.55 H new ATOM 0 HB3 MET A 56 6.379 33.826 -11.358 1.00 71.55 H new ATOM 0 HG2 MET A 56 4.913 34.101 -8.835 1.00 33.45 H new ATOM 0 HG3 MET A 56 6.367 35.079 -8.861 1.00 33.45 H new ATOM 0 HE1 MET A 56 5.362 38.109 -10.718 1.00 11.13 H new ATOM 0 HE2 MET A 56 5.706 37.478 -9.090 1.00 11.13 H new ATOM 0 HE3 MET A 56 6.799 37.096 -10.442 1.00 11.13 H new ATOM 938 N ARG A 57 7.465 30.504 -10.347 1.00 3.32 N ATOM 939 CA ARG A 57 8.321 29.507 -10.977 1.00 62.25 C ATOM 940 C ARG A 57 7.531 28.244 -11.310 1.00 1.32 C ATOM 941 O ARG A 57 7.632 27.709 -12.413 1.00 45.23 O ATOM 942 CB ARG A 57 9.496 29.160 -10.062 1.00 22.55 C ATOM 943 CG ARG A 57 10.301 27.959 -10.532 1.00 31.23 C ATOM 944 CD ARG A 57 11.414 27.616 -9.554 1.00 12.43 C ATOM 945 NE ARG A 57 12.559 27.003 -10.221 1.00 1.13 N ATOM 946 CZ ARG A 57 13.442 27.686 -10.941 1.00 70.54 C ATOM 947 NH1 ARG A 57 13.312 28.997 -11.087 1.00 72.10 N ATOM 948 NH2 ARG A 57 14.458 27.056 -11.518 1.00 0.12 N ATOM 0 H ARG A 57 7.682 30.687 -9.367 1.00 3.32 H new ATOM 0 HA ARG A 57 8.705 29.930 -11.905 1.00 62.25 H new ATOM 0 HB2 ARG A 57 10.157 30.024 -9.990 1.00 22.55 H new ATOM 0 HB3 ARG A 57 9.118 28.963 -9.059 1.00 22.55 H new ATOM 0 HG2 ARG A 57 9.640 27.100 -10.649 1.00 31.23 H new ATOM 0 HG3 ARG A 57 10.729 28.168 -11.513 1.00 31.23 H new ATOM 0 HD2 ARG A 57 11.736 28.521 -9.040 1.00 12.43 H new ATOM 0 HD3 ARG A 57 11.031 26.936 -8.793 1.00 12.43 H new ATOM 0 HE ARG A 57 12.688 25.995 -10.129 1.00 1.13 H new ATOM 0 HH11 ARG A 57 12.532 29.484 -10.646 1.00 72.10 H new ATOM 0 HH12 ARG A 57 13.992 29.518 -11.641 1.00 72.10 H new ATOM 0 HH21 ARG A 57 14.561 26.047 -11.409 1.00 0.12 H new ATOM 0 HH22 ARG A 57 15.136 27.581 -12.071 1.00 0.12 H new ATOM 962 N ALA A 58 6.745 27.774 -10.347 1.00 31.00 N ATOM 963 CA ALA A 58 5.937 26.576 -10.538 1.00 12.03 C ATOM 964 C ALA A 58 4.844 26.810 -11.575 1.00 41.33 C ATOM 965 O ALA A 58 4.501 25.911 -12.343 1.00 50.21 O ATOM 966 CB ALA A 58 5.326 26.135 -9.216 1.00 1.34 C ATOM 0 H ALA A 58 6.651 28.204 -9.427 1.00 31.00 H new ATOM 0 HA ALA A 58 6.589 25.784 -10.907 1.00 12.03 H new ATOM 0 HB1 ALA A 58 4.725 25.239 -9.374 1.00 1.34 H new ATOM 0 HB2 ALA A 58 6.121 25.918 -8.502 1.00 1.34 H new ATOM 0 HB3 ALA A 58 4.694 26.932 -8.824 1.00 1.34 H new ATOM 972 N ARG A 59 4.301 28.023 -11.592 1.00 52.11 N ATOM 973 CA ARG A 59 3.245 28.374 -12.535 1.00 4.45 C ATOM 974 C ARG A 59 3.714 28.179 -13.973 1.00 61.14 C ATOM 975 O ARG A 59 2.910 27.926 -14.871 1.00 62.20 O ATOM 976 CB ARG A 59 2.805 29.824 -12.323 1.00 1.12 C ATOM 977 CG ARG A 59 1.516 30.181 -13.045 1.00 31.34 C ATOM 978 CD ARG A 59 1.670 31.451 -13.865 1.00 42.55 C ATOM 979 NE ARG A 59 0.613 31.590 -14.864 1.00 25.20 N ATOM 980 CZ ARG A 59 0.411 32.696 -15.572 1.00 23.43 C ATOM 981 NH1 ARG A 59 1.190 33.753 -15.392 1.00 10.53 N ATOM 982 NH2 ARG A 59 -0.571 32.745 -16.462 1.00 73.51 N ATOM 0 H ARG A 59 4.574 28.779 -10.964 1.00 52.11 H new ATOM 0 HA ARG A 59 2.397 27.714 -12.355 1.00 4.45 H new ATOM 0 HB2 ARG A 59 2.675 30.003 -11.256 1.00 1.12 H new ATOM 0 HB3 ARG A 59 3.599 30.489 -12.664 1.00 1.12 H new ATOM 0 HG2 ARG A 59 1.224 29.358 -13.698 1.00 31.34 H new ATOM 0 HG3 ARG A 59 0.715 30.311 -12.318 1.00 31.34 H new ATOM 0 HD2 ARG A 59 1.657 32.315 -13.201 1.00 42.55 H new ATOM 0 HD3 ARG A 59 2.640 31.446 -14.362 1.00 42.55 H new ATOM 0 HE ARG A 59 -0.004 30.794 -15.027 1.00 25.20 H new ATOM 0 HH11 ARG A 59 1.947 33.719 -14.709 1.00 10.53 H new ATOM 0 HH12 ARG A 59 1.033 34.601 -15.937 1.00 10.53 H new ATOM 0 HH21 ARG A 59 -1.172 31.933 -16.603 1.00 73.51 H new ATOM 0 HH22 ARG A 59 -0.725 33.595 -17.005 1.00 73.51 H new ATOM 996 N LYS A 60 5.020 28.299 -14.186 1.00 62.51 N ATOM 997 CA LYS A 60 5.598 28.135 -15.515 1.00 34.41 C ATOM 998 C LYS A 60 5.146 26.821 -16.146 1.00 5.30 C ATOM 999 O LYS A 60 5.017 26.720 -17.366 1.00 61.54 O ATOM 1000 CB LYS A 60 7.125 28.178 -15.438 1.00 65.53 C ATOM 1001 CG LYS A 60 7.666 29.434 -14.778 1.00 63.11 C ATOM 1002 CD LYS A 60 8.107 30.460 -15.809 1.00 22.24 C ATOM 1003 CE LYS A 60 7.485 31.822 -15.541 1.00 31.41 C ATOM 1004 NZ LYS A 60 7.686 32.757 -16.682 1.00 55.11 N ATOM 0 H LYS A 60 5.699 28.509 -13.455 1.00 62.51 H new ATOM 0 HA LYS A 60 5.249 28.957 -16.140 1.00 34.41 H new ATOM 0 HB2 LYS A 60 7.477 27.307 -14.885 1.00 65.53 H new ATOM 0 HB3 LYS A 60 7.533 28.103 -16.446 1.00 65.53 H new ATOM 0 HG2 LYS A 60 6.899 29.868 -14.136 1.00 63.11 H new ATOM 0 HG3 LYS A 60 8.509 29.175 -14.137 1.00 63.11 H new ATOM 0 HD2 LYS A 60 9.194 30.546 -15.796 1.00 22.24 H new ATOM 0 HD3 LYS A 60 7.826 30.120 -16.806 1.00 22.24 H new ATOM 0 HE2 LYS A 60 6.418 31.703 -15.352 1.00 31.41 H new ATOM 0 HE3 LYS A 60 7.923 32.250 -14.639 1.00 31.41 H new ATOM 0 HZ1 LYS A 60 7.248 33.674 -16.461 1.00 55.11 H new ATOM 0 HZ2 LYS A 60 8.704 32.890 -16.846 1.00 55.11 H new ATOM 0 HZ3 LYS A 60 7.246 32.361 -17.537 1.00 55.11 H new ATOM 1018 N HIS A 61 4.907 25.818 -15.307 1.00 52.31 N ATOM 1019 CA HIS A 61 4.468 24.512 -15.783 1.00 74.55 C ATOM 1020 C HIS A 61 3.047 24.211 -15.314 1.00 42.41 C ATOM 1021 O HIS A 61 2.653 23.052 -15.199 1.00 71.20 O ATOM 1022 CB HIS A 61 5.420 23.420 -15.294 1.00 42.32 C ATOM 1023 CG HIS A 61 6.629 23.247 -16.162 1.00 11.25 C ATOM 1024 ND1 HIS A 61 6.565 23.187 -17.538 1.00 3.34 N ATOM 1025 CD2 HIS A 61 7.938 23.123 -15.841 1.00 60.20 C ATOM 1026 CE1 HIS A 61 7.783 23.032 -18.026 1.00 71.30 C ATOM 1027 NE2 HIS A 61 8.634 22.990 -17.017 1.00 43.01 N ATOM 0 H HIS A 61 5.010 25.885 -14.294 1.00 52.31 H new ATOM 0 HA HIS A 61 4.476 24.530 -16.873 1.00 74.55 H new ATOM 0 HB2 HIS A 61 5.742 23.657 -14.280 1.00 42.32 H new ATOM 0 HB3 HIS A 61 4.880 22.474 -15.244 1.00 42.32 H new ATOM 0 HD2 HIS A 61 8.357 23.128 -14.846 1.00 60.20 H new ATOM 0 HE1 HIS A 61 8.039 22.953 -19.072 1.00 71.30 H new ATOM 0 HE2 HIS A 61 9.644 22.877 -17.098 1.00 43.01 H new ATOM 1035 N GLY A 62 2.283 25.265 -15.044 1.00 1.54 N ATOM 1036 CA GLY A 62 0.916 25.093 -14.589 1.00 53.30 C ATOM 1037 C GLY A 62 0.812 24.153 -13.405 1.00 25.50 C ATOM 1038 O GLY A 62 0.241 23.067 -13.513 1.00 33.20 O ATOM 0 H GLY A 62 2.586 26.235 -15.132 1.00 1.54 H new ATOM 0 HA2 GLY A 62 0.503 26.064 -14.315 1.00 53.30 H new ATOM 0 HA3 GLY A 62 0.309 24.708 -15.409 1.00 53.30 H new ATOM 1042 N LEU A 63 1.368 24.567 -12.272 1.00 0.22 N ATOM 1043 CA LEU A 63 1.338 23.753 -11.062 1.00 34.21 C ATOM 1044 C LEU A 63 0.496 24.419 -9.978 1.00 4.20 C ATOM 1045 O LEU A 63 0.077 23.773 -9.018 1.00 32.02 O ATOM 1046 CB LEU A 63 2.758 23.516 -10.547 1.00 64.31 C ATOM 1047 CG LEU A 63 2.877 23.043 -9.098 1.00 1.23 C ATOM 1048 CD1 LEU A 63 4.072 22.116 -8.935 1.00 13.45 C ATOM 1049 CD2 LEU A 63 2.991 24.234 -8.156 1.00 74.54 C ATOM 0 H LEU A 63 1.845 25.462 -12.166 1.00 0.22 H new ATOM 0 HA LEU A 63 0.884 22.794 -11.311 1.00 34.21 H new ATOM 0 HB2 LEU A 63 3.237 22.777 -11.190 1.00 64.31 H new ATOM 0 HB3 LEU A 63 3.321 24.444 -10.653 1.00 64.31 H new ATOM 0 HG LEU A 63 1.975 22.487 -8.842 1.00 1.23 H new ATOM 0 HD11 LEU A 63 4.140 21.790 -7.897 1.00 13.45 H new ATOM 0 HD12 LEU A 63 3.949 21.247 -9.581 1.00 13.45 H new ATOM 0 HD13 LEU A 63 4.984 22.646 -9.209 1.00 13.45 H new ATOM 0 HD21 LEU A 63 3.075 23.879 -7.129 1.00 74.54 H new ATOM 0 HD22 LEU A 63 3.876 24.817 -8.412 1.00 74.54 H new ATOM 0 HD23 LEU A 63 2.104 24.860 -8.252 1.00 74.54 H new ATOM 1061 N VAL A 64 0.252 25.716 -10.139 1.00 73.24 N ATOM 1062 CA VAL A 64 -0.543 26.470 -9.177 1.00 25.44 C ATOM 1063 C VAL A 64 -1.866 26.916 -9.786 1.00 54.54 C ATOM 1064 O VAL A 64 -1.892 27.692 -10.743 1.00 25.40 O ATOM 1065 CB VAL A 64 0.219 27.707 -8.667 1.00 44.53 C ATOM 1066 CG1 VAL A 64 1.279 27.303 -7.654 1.00 31.13 C ATOM 1067 CG2 VAL A 64 0.844 28.464 -9.830 1.00 54.01 C ATOM 0 H VAL A 64 0.594 26.266 -10.927 1.00 73.24 H new ATOM 0 HA VAL A 64 -0.741 25.803 -8.338 1.00 25.44 H new ATOM 0 HB VAL A 64 -0.490 28.369 -8.170 1.00 44.53 H new ATOM 0 HG11 VAL A 64 1.806 28.191 -7.306 1.00 31.13 H new ATOM 0 HG12 VAL A 64 0.803 26.808 -6.807 1.00 31.13 H new ATOM 0 HG13 VAL A 64 1.988 26.620 -8.122 1.00 31.13 H new ATOM 0 HG21 VAL A 64 1.379 29.335 -9.452 1.00 54.01 H new ATOM 0 HG22 VAL A 64 1.540 27.811 -10.357 1.00 54.01 H new ATOM 0 HG23 VAL A 64 0.061 28.788 -10.516 1.00 54.01 H new ATOM 1077 N HIS A 65 -2.966 26.423 -9.226 1.00 52.01 N ATOM 1078 CA HIS A 65 -4.296 26.773 -9.714 1.00 64.41 C ATOM 1079 C HIS A 65 -4.772 28.085 -9.099 1.00 52.25 C ATOM 1080 O HIS A 65 -5.897 28.524 -9.342 1.00 21.33 O ATOM 1081 CB HIS A 65 -5.289 25.656 -9.394 1.00 74.40 C ATOM 1082 CG HIS A 65 -6.346 25.475 -10.441 1.00 5.54 C ATOM 1083 ND1 HIS A 65 -7.144 24.354 -10.519 1.00 12.12 N ATOM 1084 CD2 HIS A 65 -6.734 26.283 -11.455 1.00 45.30 C ATOM 1085 CE1 HIS A 65 -7.976 24.479 -11.537 1.00 15.20 C ATOM 1086 NE2 HIS A 65 -7.748 25.641 -12.121 1.00 52.45 N ATOM 0 H HIS A 65 -2.963 25.780 -8.434 1.00 52.01 H new ATOM 0 HA HIS A 65 -4.238 26.899 -10.795 1.00 64.41 H new ATOM 0 HB2 HIS A 65 -4.744 24.720 -9.274 1.00 74.40 H new ATOM 0 HB3 HIS A 65 -5.768 25.870 -8.439 1.00 74.40 H new ATOM 0 HD2 HIS A 65 -6.323 27.252 -11.695 1.00 45.30 H new ATOM 0 HE1 HIS A 65 -8.717 23.754 -11.840 1.00 15.20 H new ATOM 0 HE2 HIS A 65 -8.245 26.003 -12.935 1.00 52.45 H new ATOM 1094 N PHE A 66 -3.910 28.707 -8.303 1.00 3.44 N ATOM 1095 CA PHE A 66 -4.243 29.969 -7.652 1.00 32.03 C ATOM 1096 C PHE A 66 -4.699 31.005 -8.675 1.00 45.21 C ATOM 1097 O PHE A 66 -4.433 30.871 -9.869 1.00 41.20 O ATOM 1098 CB PHE A 66 -3.038 30.500 -6.873 1.00 63.12 C ATOM 1099 CG PHE A 66 -2.048 31.237 -7.730 1.00 32.22 C ATOM 1100 CD1 PHE A 66 -1.511 30.641 -8.860 1.00 13.02 C ATOM 1101 CD2 PHE A 66 -1.655 32.525 -7.406 1.00 13.24 C ATOM 1102 CE1 PHE A 66 -0.600 31.317 -9.649 1.00 60.42 C ATOM 1103 CE2 PHE A 66 -0.745 33.206 -8.192 1.00 4.05 C ATOM 1104 CZ PHE A 66 -0.217 32.601 -9.315 1.00 51.14 C ATOM 0 H PHE A 66 -2.975 28.358 -8.093 1.00 3.44 H new ATOM 0 HA PHE A 66 -5.063 29.785 -6.957 1.00 32.03 H new ATOM 0 HB2 PHE A 66 -3.390 31.165 -6.084 1.00 63.12 H new ATOM 0 HB3 PHE A 66 -2.534 29.665 -6.385 1.00 63.12 H new ATOM 0 HD1 PHE A 66 -1.808 29.637 -9.127 1.00 13.02 H new ATOM 0 HD2 PHE A 66 -2.065 33.003 -6.528 1.00 13.24 H new ATOM 0 HE1 PHE A 66 -0.188 30.841 -10.527 1.00 60.42 H new ATOM 0 HE2 PHE A 66 -0.447 34.210 -7.928 1.00 4.05 H new ATOM 0 HZ PHE A 66 0.494 33.131 -9.931 1.00 51.14 H new ATOM 1114 N GLU A 67 -5.386 32.038 -8.197 1.00 73.32 N ATOM 1115 CA GLU A 67 -5.880 33.096 -9.071 1.00 22.14 C ATOM 1116 C GLU A 67 -5.223 34.431 -8.733 1.00 25.02 C ATOM 1117 O GLU A 67 -4.684 34.612 -7.642 1.00 20.44 O ATOM 1118 CB GLU A 67 -7.400 33.219 -8.951 1.00 33.30 C ATOM 1119 CG GLU A 67 -7.879 33.499 -7.536 1.00 42.34 C ATOM 1120 CD GLU A 67 -8.944 34.577 -7.484 1.00 2.51 C ATOM 1121 OE1 GLU A 67 -8.616 35.750 -7.761 1.00 1.01 O ATOM 1122 OE2 GLU A 67 -10.106 34.248 -7.166 1.00 24.23 O ATOM 0 H GLU A 67 -5.613 32.165 -7.211 1.00 73.32 H new ATOM 0 HA GLU A 67 -5.624 32.834 -10.097 1.00 22.14 H new ATOM 0 HB2 GLU A 67 -7.744 34.019 -9.607 1.00 33.30 H new ATOM 0 HB3 GLU A 67 -7.860 32.296 -9.305 1.00 33.30 H new ATOM 0 HG2 GLU A 67 -8.275 32.581 -7.102 1.00 42.34 H new ATOM 0 HG3 GLU A 67 -7.031 33.802 -6.922 1.00 42.34 H new ATOM 1129 N GLY A 68 -5.271 35.364 -9.679 1.00 1.11 N ATOM 1130 CA GLY A 68 -4.676 36.670 -9.464 1.00 14.35 C ATOM 1131 C GLY A 68 -3.197 36.695 -9.792 1.00 2.21 C ATOM 1132 O GLY A 68 -2.564 35.647 -9.913 1.00 31.35 O ATOM 0 H GLY A 68 -5.711 35.239 -10.590 1.00 1.11 H new ATOM 0 HA2 GLY A 68 -5.194 37.407 -10.078 1.00 14.35 H new ATOM 0 HA3 GLY A 68 -4.819 36.964 -8.424 1.00 14.35 H new ATOM 1136 N GLU A 69 -2.645 37.896 -9.939 1.00 23.45 N ATOM 1137 CA GLU A 69 -1.230 38.051 -10.258 1.00 15.42 C ATOM 1138 C GLU A 69 -0.374 37.945 -8.999 1.00 43.45 C ATOM 1139 O GLU A 69 0.841 37.763 -9.077 1.00 32.35 O ATOM 1140 CB GLU A 69 -0.985 39.397 -10.943 1.00 42.14 C ATOM 1141 CG GLU A 69 -1.797 39.590 -12.213 1.00 43.42 C ATOM 1142 CD GLU A 69 -1.398 40.839 -12.976 1.00 60.21 C ATOM 1143 OE1 GLU A 69 -0.574 41.617 -12.452 1.00 55.41 O ATOM 1144 OE2 GLU A 69 -1.910 41.036 -14.098 1.00 40.40 O ATOM 0 H GLU A 69 -3.155 38.774 -9.842 1.00 23.45 H new ATOM 0 HA GLU A 69 -0.946 37.248 -10.938 1.00 15.42 H new ATOM 0 HB2 GLU A 69 -1.223 40.199 -10.244 1.00 42.14 H new ATOM 0 HB3 GLU A 69 0.075 39.486 -11.182 1.00 42.14 H new ATOM 0 HG2 GLU A 69 -1.670 38.719 -12.857 1.00 43.42 H new ATOM 0 HG3 GLU A 69 -2.855 39.647 -11.958 1.00 43.42 H new ATOM 1151 N MET A 70 -1.016 38.062 -7.842 1.00 11.21 N ATOM 1152 CA MET A 70 -0.313 37.979 -6.567 1.00 15.03 C ATOM 1153 C MET A 70 -1.299 37.824 -5.412 1.00 45.53 C ATOM 1154 O MET A 70 -2.509 37.958 -5.594 1.00 14.50 O ATOM 1155 CB MET A 70 0.549 39.224 -6.353 1.00 42.31 C ATOM 1156 CG MET A 70 -0.235 40.525 -6.417 1.00 1.00 C ATOM 1157 SD MET A 70 0.728 41.883 -7.110 1.00 12.12 S ATOM 1158 CE MET A 70 0.813 41.394 -8.831 1.00 3.13 C ATOM 0 H MET A 70 -2.021 38.214 -7.761 1.00 11.21 H new ATOM 0 HA MET A 70 0.331 37.100 -6.592 1.00 15.03 H new ATOM 0 HB2 MET A 70 1.041 39.153 -5.383 1.00 42.31 H new ATOM 0 HB3 MET A 70 1.335 39.246 -7.108 1.00 42.31 H new ATOM 0 HG2 MET A 70 -1.131 40.376 -7.020 1.00 1.00 H new ATOM 0 HG3 MET A 70 -0.567 40.795 -5.414 1.00 1.00 H new ATOM 0 HE1 MET A 70 1.748 41.750 -9.265 1.00 3.13 H new ATOM 0 HE2 MET A 70 0.770 40.307 -8.903 1.00 3.13 H new ATOM 0 HE3 MET A 70 -0.027 41.827 -9.374 1.00 3.13 H new ATOM 1168 N LEU A 71 -0.773 37.542 -4.226 1.00 24.33 N ATOM 1169 CA LEU A 71 -1.606 37.369 -3.041 1.00 31.40 C ATOM 1170 C LEU A 71 -1.113 38.247 -1.895 1.00 72.33 C ATOM 1171 O LEU A 71 0.035 38.137 -1.466 1.00 44.24 O ATOM 1172 CB LEU A 71 -1.613 35.902 -2.608 1.00 23.52 C ATOM 1173 CG LEU A 71 -1.776 34.872 -3.727 1.00 2.13 C ATOM 1174 CD1 LEU A 71 -1.989 33.482 -3.147 1.00 3.54 C ATOM 1175 CD2 LEU A 71 -2.932 35.254 -4.639 1.00 15.34 C ATOM 0 H LEU A 71 0.227 37.428 -4.059 1.00 24.33 H new ATOM 0 HA LEU A 71 -2.622 37.672 -3.295 1.00 31.40 H new ATOM 0 HB2 LEU A 71 -0.680 35.694 -2.084 1.00 23.52 H new ATOM 0 HB3 LEU A 71 -2.421 35.760 -1.890 1.00 23.52 H new ATOM 0 HG LEU A 71 -0.861 34.860 -4.319 1.00 2.13 H new ATOM 0 HD11 LEU A 71 -2.103 32.763 -3.958 1.00 3.54 H new ATOM 0 HD12 LEU A 71 -1.129 33.207 -2.536 1.00 3.54 H new ATOM 0 HD13 LEU A 71 -2.888 33.479 -2.530 1.00 3.54 H new ATOM 0 HD21 LEU A 71 -3.033 34.510 -5.429 1.00 15.34 H new ATOM 0 HD22 LEU A 71 -3.854 35.296 -4.059 1.00 15.34 H new ATOM 0 HD23 LEU A 71 -2.738 36.231 -5.083 1.00 15.34 H new ATOM 1187 N TRP A 72 -1.989 39.115 -1.404 1.00 14.05 N ATOM 1188 CA TRP A 72 -1.644 40.011 -0.305 1.00 63.45 C ATOM 1189 C TRP A 72 -1.986 39.380 1.040 1.00 65.32 C ATOM 1190 O TRP A 72 -3.136 39.025 1.293 1.00 32.44 O ATOM 1191 CB TRP A 72 -2.376 41.345 -0.458 1.00 74.51 C ATOM 1192 CG TRP A 72 -2.034 42.069 -1.725 1.00 74.40 C ATOM 1193 CD1 TRP A 72 -2.910 42.560 -2.650 1.00 75.23 C ATOM 1194 CD2 TRP A 72 -0.723 42.381 -2.206 1.00 64.33 C ATOM 1195 NE1 TRP A 72 -2.222 43.159 -3.678 1.00 33.41 N ATOM 1196 CE2 TRP A 72 -0.879 43.063 -3.429 1.00 23.22 C ATOM 1197 CE3 TRP A 72 0.568 42.152 -1.723 1.00 4.33 C ATOM 1198 CZ2 TRP A 72 0.208 43.516 -4.172 1.00 71.11 C ATOM 1199 CZ3 TRP A 72 1.646 42.602 -2.462 1.00 11.32 C ATOM 1200 CH2 TRP A 72 1.461 43.278 -3.675 1.00 55.50 C ATOM 0 H TRP A 72 -2.943 39.218 -1.749 1.00 14.05 H new ATOM 0 HA TRP A 72 -0.569 40.189 -0.338 1.00 63.45 H new ATOM 0 HB2 TRP A 72 -3.451 41.167 -0.429 1.00 74.51 H new ATOM 0 HB3 TRP A 72 -2.135 41.983 0.393 1.00 74.51 H new ATOM 0 HD1 TRP A 72 -3.986 42.488 -2.584 1.00 75.23 H new ATOM 0 HE1 TRP A 72 -2.643 43.603 -4.494 1.00 33.41 H new ATOM 0 HE3 TRP A 72 0.721 41.632 -0.789 1.00 4.33 H new ATOM 0 HZ2 TRP A 72 0.067 44.037 -5.108 1.00 71.11 H new ATOM 0 HZ3 TRP A 72 2.648 42.429 -2.098 1.00 11.32 H new ATOM 0 HH2 TRP A 72 2.324 43.618 -4.229 1.00 55.50 H new ATOM 1211 N GLN A 73 -0.979 39.244 1.898 1.00 75.14 N ATOM 1212 CA GLN A 73 -1.176 38.655 3.217 1.00 25.10 C ATOM 1213 C GLN A 73 -2.323 39.338 3.953 1.00 14.10 C ATOM 1214 O GLN A 73 -2.363 40.563 4.061 1.00 21.15 O ATOM 1215 CB GLN A 73 0.109 38.760 4.041 1.00 33.54 C ATOM 1216 CG GLN A 73 0.269 37.645 5.063 1.00 74.13 C ATOM 1217 CD GLN A 73 -0.170 38.060 6.453 1.00 32.01 C ATOM 1218 OE1 GLN A 73 -1.074 38.881 6.612 1.00 31.11 O ATOM 1219 NE2 GLN A 73 0.469 37.493 7.470 1.00 40.33 N ATOM 0 H GLN A 73 -0.020 39.533 1.703 1.00 75.14 H new ATOM 0 HA GLN A 73 -1.430 37.603 3.084 1.00 25.10 H new ATOM 0 HB2 GLN A 73 0.965 38.749 3.367 1.00 33.54 H new ATOM 0 HB3 GLN A 73 0.122 39.720 4.557 1.00 33.54 H new ATOM 0 HG2 GLN A 73 -0.313 36.780 4.745 1.00 74.13 H new ATOM 0 HG3 GLN A 73 1.313 37.333 5.094 1.00 74.13 H new ATOM 0 HE21 GLN A 73 1.212 36.817 7.292 1.00 40.33 H new ATOM 0 HE22 GLN A 73 0.216 37.733 8.429 1.00 40.33 H new ATOM 1228 N GLY A 74 -3.257 38.537 4.457 1.00 20.24 N ATOM 1229 CA GLY A 74 -4.393 39.082 5.176 1.00 14.43 C ATOM 1230 C GLY A 74 -5.540 39.449 4.255 1.00 12.35 C ATOM 1231 O GLY A 74 -6.623 39.814 4.714 1.00 2.43 O ATOM 0 H GLY A 74 -3.247 37.520 4.380 1.00 20.24 H new ATOM 0 HA2 GLY A 74 -4.739 38.353 5.909 1.00 14.43 H new ATOM 0 HA3 GLY A 74 -4.078 39.967 5.730 1.00 14.43 H new ATOM 1235 N LYS A 75 -5.303 39.354 2.952 1.00 54.25 N ATOM 1236 CA LYS A 75 -6.324 39.679 1.962 1.00 13.04 C ATOM 1237 C LYS A 75 -6.597 38.487 1.050 1.00 10.24 C ATOM 1238 O LYS A 75 -7.739 38.049 0.911 1.00 70.12 O ATOM 1239 CB LYS A 75 -5.889 40.885 1.127 1.00 63.11 C ATOM 1240 CG LYS A 75 -5.317 42.023 1.954 1.00 42.31 C ATOM 1241 CD LYS A 75 -6.373 42.645 2.852 1.00 42.40 C ATOM 1242 CE LYS A 75 -6.531 44.133 2.578 1.00 14.11 C ATOM 1243 NZ LYS A 75 -7.590 44.744 3.429 1.00 71.03 N ATOM 0 H LYS A 75 -4.412 39.054 2.556 1.00 54.25 H new ATOM 0 HA LYS A 75 -7.243 39.926 2.493 1.00 13.04 H new ATOM 0 HB2 LYS A 75 -5.142 40.563 0.401 1.00 63.11 H new ATOM 0 HB3 LYS A 75 -6.745 41.253 0.562 1.00 63.11 H new ATOM 0 HG2 LYS A 75 -4.492 41.653 2.563 1.00 42.31 H new ATOM 0 HG3 LYS A 75 -4.907 42.785 1.291 1.00 42.31 H new ATOM 0 HD2 LYS A 75 -7.327 42.142 2.696 1.00 42.40 H new ATOM 0 HD3 LYS A 75 -6.100 42.493 3.896 1.00 42.40 H new ATOM 0 HE2 LYS A 75 -5.583 44.638 2.760 1.00 14.11 H new ATOM 0 HE3 LYS A 75 -6.777 44.285 1.527 1.00 14.11 H new ATOM 0 HZ1 LYS A 75 -7.667 45.758 3.213 1.00 71.03 H new ATOM 0 HZ2 LYS A 75 -8.500 44.279 3.238 1.00 71.03 H new ATOM 0 HZ3 LYS A 75 -7.343 44.622 4.432 1.00 71.03 H new ATOM 1257 N ASP A 76 -5.542 37.967 0.433 1.00 30.33 N ATOM 1258 CA ASP A 76 -5.668 36.824 -0.463 1.00 63.53 C ATOM 1259 C ASP A 76 -5.389 35.519 0.277 1.00 15.01 C ATOM 1260 O ASP A 76 -5.182 34.475 -0.341 1.00 61.13 O ATOM 1261 CB ASP A 76 -4.708 36.968 -1.646 1.00 34.22 C ATOM 1262 CG ASP A 76 -5.334 37.708 -2.812 1.00 21.22 C ATOM 1263 OD1 ASP A 76 -6.081 37.073 -3.585 1.00 22.30 O ATOM 1264 OD2 ASP A 76 -5.076 38.922 -2.952 1.00 21.14 O ATOM 0 H ASP A 76 -4.590 38.319 0.537 1.00 30.33 H new ATOM 0 HA ASP A 76 -6.692 36.798 -0.836 1.00 63.53 H new ATOM 0 HB2 ASP A 76 -3.813 37.498 -1.321 1.00 34.22 H new ATOM 0 HB3 ASP A 76 -4.391 35.979 -1.975 1.00 34.22 H new ATOM 1269 N ASP A 77 -5.386 35.587 1.604 1.00 41.03 N ATOM 1270 CA ASP A 77 -5.133 34.412 2.429 1.00 71.51 C ATOM 1271 C ASP A 77 -6.117 33.293 2.098 1.00 44.43 C ATOM 1272 O ASP A 77 -5.820 32.114 2.292 1.00 74.01 O ATOM 1273 CB ASP A 77 -5.232 34.772 3.912 1.00 52.11 C ATOM 1274 CG ASP A 77 -6.668 34.869 4.389 1.00 2.15 C ATOM 1275 OD1 ASP A 77 -7.403 35.745 3.887 1.00 61.13 O ATOM 1276 OD2 ASP A 77 -7.057 34.069 5.265 1.00 24.33 O ATOM 0 H ASP A 77 -5.556 36.444 2.131 1.00 41.03 H new ATOM 0 HA ASP A 77 -4.124 34.060 2.215 1.00 71.51 H new ATOM 0 HB2 ASP A 77 -4.706 34.021 4.501 1.00 52.11 H new ATOM 0 HB3 ASP A 77 -4.729 35.723 4.086 1.00 52.11 H new ATOM 1281 N HIS A 78 -7.289 33.672 1.598 1.00 63.14 N ATOM 1282 CA HIS A 78 -8.317 32.701 1.240 1.00 63.02 C ATOM 1283 C HIS A 78 -7.888 31.877 0.030 1.00 63.52 C ATOM 1284 O HIS A 78 -8.403 30.783 -0.203 1.00 62.04 O ATOM 1285 CB HIS A 78 -9.638 33.411 0.945 1.00 13.12 C ATOM 1286 CG HIS A 78 -9.646 34.146 -0.360 1.00 25.30 C ATOM 1287 ND1 HIS A 78 -8.691 34.896 -0.959 1.00 12.31 N flip ATOM 1288 CD2 HIS A 78 -10.731 34.159 -1.210 1.00 15.43 C flip ATOM 1289 CE1 HIS A 78 -9.212 35.344 -2.148 1.00 12.13 C flip ATOM 1290 NE2 HIS A 78 -10.444 34.885 -2.276 1.00 13.33 N flip ATOM 0 H HIS A 78 -7.550 34.644 1.432 1.00 63.14 H new ATOM 0 HA HIS A 78 -8.456 32.027 2.086 1.00 63.02 H new ATOM 0 HB2 HIS A 78 -10.443 32.676 0.943 1.00 13.12 H new ATOM 0 HB3 HIS A 78 -9.850 34.115 1.750 1.00 13.12 H new ATOM 0 HD2 HIS A 78 -11.669 33.655 -1.032 1.00 15.43 H new ATOM 0 HE1 HIS A 78 -8.698 35.970 -2.862 1.00 12.13 H new ATOM 0 HE2 HIS A 78 -11.068 35.061 -3.064 1.00 13.33 H new ATOM 1298 N VAL A 79 -6.942 32.409 -0.738 1.00 22.23 N ATOM 1299 CA VAL A 79 -6.443 31.722 -1.924 1.00 14.35 C ATOM 1300 C VAL A 79 -5.936 30.327 -1.578 1.00 62.11 C ATOM 1301 O VAL A 79 -4.955 30.174 -0.850 1.00 32.13 O ATOM 1302 CB VAL A 79 -5.309 32.517 -2.597 1.00 0.30 C ATOM 1303 CG1 VAL A 79 -4.713 31.725 -3.750 1.00 70.43 C ATOM 1304 CG2 VAL A 79 -5.817 33.869 -3.075 1.00 11.24 C ATOM 0 H VAL A 79 -6.506 33.314 -0.560 1.00 22.23 H new ATOM 0 HA VAL A 79 -7.280 31.639 -2.618 1.00 14.35 H new ATOM 0 HB VAL A 79 -4.523 32.689 -1.861 1.00 0.30 H new ATOM 0 HG11 VAL A 79 -3.913 32.303 -4.213 1.00 70.43 H new ATOM 0 HG12 VAL A 79 -4.311 30.784 -3.375 1.00 70.43 H new ATOM 0 HG13 VAL A 79 -5.487 31.520 -4.489 1.00 70.43 H new ATOM 0 HG21 VAL A 79 -5.002 34.417 -3.548 1.00 11.24 H new ATOM 0 HG22 VAL A 79 -6.622 33.721 -3.795 1.00 11.24 H new ATOM 0 HG23 VAL A 79 -6.192 34.438 -2.224 1.00 11.24 H new ATOM 1314 N VAL A 80 -6.610 29.310 -2.106 1.00 42.34 N ATOM 1315 CA VAL A 80 -6.226 27.926 -1.856 1.00 15.14 C ATOM 1316 C VAL A 80 -5.296 27.407 -2.946 1.00 51.43 C ATOM 1317 O VAL A 80 -5.704 27.241 -4.096 1.00 63.23 O ATOM 1318 CB VAL A 80 -7.461 27.009 -1.770 1.00 24.33 C ATOM 1319 CG1 VAL A 80 -7.037 25.553 -1.652 1.00 64.42 C ATOM 1320 CG2 VAL A 80 -8.343 27.412 -0.598 1.00 31.20 C ATOM 0 H VAL A 80 -7.425 29.419 -2.710 1.00 42.34 H new ATOM 0 HA VAL A 80 -5.703 27.910 -0.900 1.00 15.14 H new ATOM 0 HB VAL A 80 -8.040 27.121 -2.687 1.00 24.33 H new ATOM 0 HG11 VAL A 80 -7.922 24.920 -1.592 1.00 64.42 H new ATOM 0 HG12 VAL A 80 -6.449 25.273 -2.526 1.00 64.42 H new ATOM 0 HG13 VAL A 80 -6.435 25.421 -0.753 1.00 64.42 H new ATOM 0 HG21 VAL A 80 -9.211 26.754 -0.552 1.00 31.20 H new ATOM 0 HG22 VAL A 80 -7.776 27.330 0.329 1.00 31.20 H new ATOM 0 HG23 VAL A 80 -8.675 28.442 -0.730 1.00 31.20 H new ATOM 1330 N ILE A 81 -4.045 27.153 -2.578 1.00 11.34 N ATOM 1331 CA ILE A 81 -3.057 26.652 -3.525 1.00 31.45 C ATOM 1332 C ILE A 81 -3.024 25.127 -3.529 1.00 14.11 C ATOM 1333 O ILE A 81 -2.566 24.502 -2.572 1.00 64.54 O ATOM 1334 CB ILE A 81 -1.648 27.183 -3.202 1.00 40.25 C ATOM 1335 CG1 ILE A 81 -1.639 28.713 -3.224 1.00 51.12 C ATOM 1336 CG2 ILE A 81 -0.634 26.628 -4.191 1.00 43.12 C ATOM 1337 CD1 ILE A 81 -1.816 29.338 -1.858 1.00 73.11 C ATOM 0 H ILE A 81 -3.692 27.286 -1.630 1.00 11.34 H new ATOM 0 HA ILE A 81 -3.354 27.010 -4.511 1.00 31.45 H new ATOM 0 HB ILE A 81 -1.370 26.851 -2.202 1.00 40.25 H new ATOM 0 HG12 ILE A 81 -0.698 29.057 -3.653 1.00 51.12 H new ATOM 0 HG13 ILE A 81 -2.435 29.064 -3.881 1.00 51.12 H new ATOM 0 HG21 ILE A 81 0.357 27.012 -3.950 1.00 43.12 H new ATOM 0 HG22 ILE A 81 -0.626 25.540 -4.131 1.00 43.12 H new ATOM 0 HG23 ILE A 81 -0.906 26.934 -5.201 1.00 43.12 H new ATOM 0 HD11 ILE A 81 -1.800 30.424 -1.950 1.00 73.11 H new ATOM 0 HD12 ILE A 81 -2.770 29.024 -1.435 1.00 73.11 H new ATOM 0 HD13 ILE A 81 -1.006 29.017 -1.203 1.00 73.11 H new ATOM 1349 N THR A 82 -3.513 24.533 -4.613 1.00 41.13 N ATOM 1350 CA THR A 82 -3.539 23.082 -4.743 1.00 72.35 C ATOM 1351 C THR A 82 -2.435 22.593 -5.674 1.00 54.03 C ATOM 1352 O THR A 82 -2.476 22.833 -6.882 1.00 3.22 O ATOM 1353 CB THR A 82 -4.899 22.590 -5.275 1.00 43.03 C ATOM 1354 OG1 THR A 82 -4.813 21.207 -5.635 1.00 63.31 O ATOM 1355 CG2 THR A 82 -5.335 23.407 -6.482 1.00 33.10 C ATOM 0 H THR A 82 -3.897 25.035 -5.414 1.00 41.13 H new ATOM 0 HA THR A 82 -3.377 22.673 -3.746 1.00 72.35 H new ATOM 0 HB THR A 82 -5.640 22.714 -4.485 1.00 43.03 H new ATOM 0 HG1 THR A 82 -5.682 20.902 -5.971 1.00 63.31 H new ATOM 0 HG21 THR A 82 -6.297 23.042 -6.840 1.00 33.10 H new ATOM 0 HG22 THR A 82 -5.428 24.455 -6.198 1.00 33.10 H new ATOM 0 HG23 THR A 82 -4.593 23.310 -7.274 1.00 33.10 H new ATOM 1363 N LEU A 83 -1.450 21.906 -5.107 1.00 35.24 N ATOM 1364 CA LEU A 83 -0.335 21.382 -5.887 1.00 24.24 C ATOM 1365 C LEU A 83 -0.835 20.630 -7.116 1.00 1.30 C ATOM 1366 O LEU A 83 -1.339 19.511 -7.011 1.00 5.15 O ATOM 1367 CB LEU A 83 0.526 20.457 -5.024 1.00 70.44 C ATOM 1368 CG LEU A 83 2.015 20.411 -5.368 1.00 41.35 C ATOM 1369 CD1 LEU A 83 2.656 21.773 -5.148 1.00 34.01 C ATOM 1370 CD2 LEU A 83 2.722 19.347 -4.541 1.00 54.31 C ATOM 0 H LEU A 83 -1.401 21.699 -4.109 1.00 35.24 H new ATOM 0 HA LEU A 83 0.270 22.225 -6.222 1.00 24.24 H new ATOM 0 HB2 LEU A 83 0.423 20.765 -3.983 1.00 70.44 H new ATOM 0 HB3 LEU A 83 0.125 19.446 -5.099 1.00 70.44 H new ATOM 0 HG LEU A 83 2.116 20.150 -6.421 1.00 41.35 H new ATOM 0 HD11 LEU A 83 3.716 21.721 -5.398 1.00 34.01 H new ATOM 0 HD12 LEU A 83 2.169 22.512 -5.785 1.00 34.01 H new ATOM 0 HD13 LEU A 83 2.543 22.064 -4.104 1.00 34.01 H new ATOM 0 HD21 LEU A 83 3.781 19.329 -4.800 1.00 54.31 H new ATOM 0 HD22 LEU A 83 2.611 19.577 -3.481 1.00 54.31 H new ATOM 0 HD23 LEU A 83 2.281 18.372 -4.749 1.00 54.31 H new ATOM 1382 N LEU A 84 -0.691 21.251 -8.281 1.00 52.35 N ATOM 1383 CA LEU A 84 -1.126 20.640 -9.533 1.00 14.33 C ATOM 1384 C LEU A 84 0.028 19.913 -10.214 1.00 21.52 C ATOM 1385 O LEU A 84 0.793 20.512 -10.969 1.00 15.11 O ATOM 1386 CB LEU A 84 -1.698 21.705 -10.471 1.00 61.31 C ATOM 1387 CG LEU A 84 -2.984 22.389 -10.006 1.00 71.53 C ATOM 1388 CD1 LEU A 84 -3.523 23.306 -11.093 1.00 13.14 C ATOM 1389 CD2 LEU A 84 -4.027 21.352 -9.615 1.00 14.35 C ATOM 0 H LEU A 84 -0.277 22.177 -8.386 1.00 52.35 H new ATOM 0 HA LEU A 84 -1.904 19.912 -9.303 1.00 14.33 H new ATOM 0 HB2 LEU A 84 -0.938 22.471 -10.625 1.00 61.31 H new ATOM 0 HB3 LEU A 84 -1.886 21.243 -11.440 1.00 61.31 H new ATOM 0 HG LEU A 84 -2.755 22.994 -9.129 1.00 71.53 H new ATOM 0 HD11 LEU A 84 -4.438 23.784 -10.745 1.00 13.14 H new ATOM 0 HD12 LEU A 84 -2.781 24.069 -11.326 1.00 13.14 H new ATOM 0 HD13 LEU A 84 -3.737 22.722 -11.988 1.00 13.14 H new ATOM 0 HD21 LEU A 84 -4.936 21.856 -9.287 1.00 14.35 H new ATOM 0 HD22 LEU A 84 -4.253 20.721 -10.475 1.00 14.35 H new ATOM 0 HD23 LEU A 84 -3.641 20.735 -8.803 1.00 14.35 H new ATOM 1401 N GLU A 85 0.146 18.616 -9.943 1.00 2.44 N ATOM 1402 CA GLU A 85 1.207 17.807 -10.531 1.00 10.20 C ATOM 1403 C GLU A 85 0.688 16.423 -10.911 1.00 43.31 C ATOM 1404 O GLU A 85 -0.485 16.113 -10.709 1.00 20.43 O ATOM 1405 CB GLU A 85 2.378 17.675 -9.556 1.00 24.45 C ATOM 1406 CG GLU A 85 3.280 18.897 -9.517 1.00 15.33 C ATOM 1407 CD GLU A 85 4.632 18.605 -8.897 1.00 45.52 C ATOM 1408 OE1 GLU A 85 4.697 18.456 -7.659 1.00 24.11 O ATOM 1409 OE2 GLU A 85 5.626 18.527 -9.650 1.00 33.13 O ATOM 0 H GLU A 85 -0.480 18.104 -9.321 1.00 2.44 H new ATOM 0 HA GLU A 85 1.552 18.308 -11.436 1.00 10.20 H new ATOM 0 HB2 GLU A 85 1.987 17.491 -8.555 1.00 24.45 H new ATOM 0 HB3 GLU A 85 2.973 16.804 -9.832 1.00 24.45 H new ATOM 0 HG2 GLU A 85 3.423 19.271 -10.531 1.00 15.33 H new ATOM 0 HG3 GLU A 85 2.789 19.689 -8.951 1.00 15.33 H new TER 1416 GLU A 85