USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 114 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -0.0489 USER MOD Set 2.1: A 49 TYR OH : rot 2:sc= 1.31 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 1.7 K(o=3,f=-7.7!) USER MOD Single : A 4 MET CE :methyl -174:sc= 0 (180deg=-0.0493) USER MOD Single : A 5 GLN : amide:sc=-0.00324 X(o=-0.0032,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.474 K(o=0.47,f=-0.24) USER MOD Single : A 17 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.5!) USER MOD Single : A 23 MET CE :methyl 174:sc= -0.668 (180deg=-0.753) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 26 ASN : amide:sc= -0.0061 X(o=-0.0061,f=-0.12) USER MOD Single : A 35 THR OG1 : rot -25:sc= 0.0667 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -83:sc= 1.33 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.616 (180deg=0.609) USER MOD Single : A 55 GLN : amide:sc= 0.815 K(o=0.82,f=-1.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.309 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 159:sc= 1.19 USER MOD Single : A 70 GLN : amide:sc= 0.116 X(o=0.12,f=-0.061) USER MOD Single : A 72 MET CE :methyl -165:sc= 0 (180deg=-0.331) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.7) USER MOD Single : A 83 HIS : no HD1:sc= -0.051 K(o=-0.051,f=-0.99) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.069 K(o=-0.069,f=-7.5!) USER MOD Single : A 89 HIS : no HE2:sc= -0.157 K(o=-0.16,f=-0.91) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 142:sc= 1.32 USER MOD Single : A 96 THR OG1 : rot 132:sc= 0.579 USER MOD Single : A 100 SER OG : rot 180:sc= -0.273 USER MOD Single : A 104 SER OG : rot 62:sc= 1.41 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -6:sc= 0.369! USER MOD Single : A 111 SER OG : rot 72:sc= 0.389 USER MOD Single : A 115 MET CE :methyl 173:sc= 0 (180deg=-0.0661) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.225 -6.724 -20.479 1.00 0.00 N ATOM 42 CA MET A 4 0.276 -6.732 -19.029 1.00 0.00 C ATOM 43 C MET A 4 0.651 -5.349 -18.504 1.00 0.00 C ATOM 44 O MET A 4 0.183 -4.927 -17.444 1.00 0.00 O ATOM 45 CB MET A 4 1.298 -7.744 -18.542 1.00 0.00 C ATOM 46 CG MET A 4 0.942 -9.206 -18.763 1.00 0.00 C ATOM 47 SD MET A 4 2.079 -10.317 -17.905 1.00 0.00 S ATOM 48 CE MET A 4 3.584 -10.117 -18.850 1.00 0.00 C ATOM 0 HA MET A 4 -0.711 -7.006 -18.655 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.247 -7.542 -19.039 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.457 -7.586 -17.475 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.075 -9.388 -18.415 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.957 -9.425 -19.831 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.333 -10.824 -18.495 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.379 -10.304 -19.904 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.958 -9.100 -18.728 1.00 0.00 H new ATOM 58 N GLN A 5 1.488 -4.648 -19.269 1.00 0.00 N ATOM 59 CA GLN A 5 1.975 -3.327 -18.929 1.00 0.00 C ATOM 60 C GLN A 5 0.848 -2.360 -19.217 1.00 0.00 C ATOM 61 O GLN A 5 0.675 -1.382 -18.492 1.00 0.00 O ATOM 62 CB GLN A 5 3.236 -2.984 -19.726 1.00 0.00 C ATOM 63 CG GLN A 5 4.446 -3.825 -19.358 1.00 0.00 C ATOM 64 CD GLN A 5 5.673 -3.535 -20.204 1.00 0.00 C ATOM 65 OE1 GLN A 5 5.645 -3.523 -21.439 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.789 -3.293 -19.524 1.00 0.00 N ATOM 0 H GLN A 5 1.849 -4.996 -20.157 1.00 0.00 H new ATOM 0 HA GLN A 5 2.261 -3.273 -17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.028 -3.110 -20.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.477 -1.932 -19.571 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.690 -3.654 -18.310 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.188 -4.879 -19.458 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.779 -3.310 -18.504 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.656 -3.090 -20.022 1.00 0.00 H new ATOM 75 N LYS A 6 0.101 -2.646 -20.284 1.00 0.00 N ATOM 76 CA LYS A 6 -1.063 -1.860 -20.648 1.00 0.00 C ATOM 77 C LYS A 6 -2.112 -1.990 -19.551 1.00 0.00 C ATOM 78 O LYS A 6 -2.778 -1.007 -19.237 1.00 0.00 O ATOM 79 CB LYS A 6 -1.612 -2.316 -21.996 1.00 0.00 C ATOM 80 CG LYS A 6 -0.702 -1.977 -23.169 1.00 0.00 C ATOM 81 CD LYS A 6 -1.281 -2.466 -24.489 1.00 0.00 C ATOM 82 CE LYS A 6 -0.354 -2.146 -25.652 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.905 -2.625 -26.951 1.00 0.00 N ATOM 0 H LYS A 6 0.290 -3.426 -20.913 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.784 -0.811 -20.747 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.770 -3.394 -21.969 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.586 -1.855 -22.157 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.553 -0.898 -23.214 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.278 -2.428 -23.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.447 -3.542 -24.439 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.252 -2.001 -24.657 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.192 -1.069 -25.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.618 -2.607 -25.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.243 -2.387 -27.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.036 -3.656 -26.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.821 -2.166 -27.130 1.00 0.00 H new ATOM 97 N ARG A 7 -2.269 -3.190 -18.982 1.00 0.00 N ATOM 98 CA ARG A 7 -3.169 -3.382 -17.852 1.00 0.00 C ATOM 99 C ARG A 7 -2.714 -2.564 -16.652 1.00 0.00 C ATOM 100 O ARG A 7 -3.555 -1.999 -15.953 1.00 0.00 O ATOM 101 CB ARG A 7 -3.265 -4.848 -17.463 1.00 0.00 C ATOM 102 CG ARG A 7 -4.122 -5.107 -16.234 1.00 0.00 C ATOM 103 CD ARG A 7 -5.557 -4.776 -16.441 1.00 0.00 C ATOM 104 NE ARG A 7 -6.312 -4.971 -15.211 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.415 -4.034 -14.247 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.831 -2.871 -14.395 1.00 0.00 N ATOM 107 NH2 ARG A 7 -7.082 -4.231 -13.126 1.00 0.00 N ATOM 0 H ARG A 7 -1.786 -4.035 -19.287 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.156 -3.040 -18.163 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.673 -5.410 -18.303 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.261 -5.231 -17.281 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.035 -6.156 -15.953 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.737 -4.520 -15.400 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.653 -3.742 -16.773 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.970 -5.404 -17.231 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.787 -5.863 -15.072 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.297 -2.673 -15.241 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.910 -2.164 -13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.548 -5.123 -12.960 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.132 -3.491 -12.425 1.00 0.00 H new ATOM 121 N LEU A 8 -1.405 -2.521 -16.396 1.00 0.00 N ATOM 122 CA LEU A 8 -0.882 -1.681 -15.326 1.00 0.00 C ATOM 123 C LEU A 8 -1.236 -0.216 -15.593 1.00 0.00 C ATOM 124 O LEU A 8 -1.586 0.498 -14.654 1.00 0.00 O ATOM 125 CB LEU A 8 0.629 -1.854 -15.160 1.00 0.00 C ATOM 126 CG LEU A 8 1.220 -1.013 -14.024 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.546 -1.417 -12.727 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.717 -1.248 -13.930 1.00 0.00 C ATOM 0 H LEU A 8 -0.700 -3.051 -16.908 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.347 -1.994 -14.391 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.848 -2.906 -14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.122 -1.586 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 8 1.050 0.046 -14.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.955 -0.828 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.527 -1.238 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.725 -2.476 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.130 -0.646 -13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.908 -2.303 -13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.190 -0.964 -14.870 1.00 0.00 H new ATOM 140 N GLN A 9 -1.110 0.235 -16.846 1.00 0.00 N ATOM 141 CA GLN A 9 -1.489 1.591 -17.237 1.00 0.00 C ATOM 142 C GLN A 9 -2.984 1.823 -17.020 1.00 0.00 C ATOM 143 O GLN A 9 -3.392 2.926 -16.663 1.00 0.00 O ATOM 144 CB GLN A 9 -1.153 1.862 -18.706 1.00 0.00 C ATOM 145 CG GLN A 9 0.322 1.958 -19.051 1.00 0.00 C ATOM 146 CD GLN A 9 0.514 2.127 -20.547 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.339 1.698 -21.329 1.00 0.00 O ATOM 148 NE2 GLN A 9 1.613 2.748 -20.964 1.00 0.00 N ATOM 0 H GLN A 9 -0.744 -0.330 -17.612 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.919 2.275 -16.609 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.595 1.070 -19.310 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.635 2.794 -19.001 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.769 2.801 -18.525 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.839 1.060 -18.712 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.295 3.088 -20.286 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.774 2.884 -21.962 1.00 0.00 H new ATOM 157 N LYS A 10 -3.814 0.813 -17.267 1.00 0.00 N ATOM 158 CA LYS A 10 -5.238 0.942 -16.994 1.00 0.00 C ATOM 159 C LYS A 10 -5.481 1.121 -15.497 1.00 0.00 C ATOM 160 O LYS A 10 -6.371 1.880 -15.109 1.00 0.00 O ATOM 161 CB LYS A 10 -5.995 -0.282 -17.513 1.00 0.00 C ATOM 162 CG LYS A 10 -6.073 -0.379 -19.030 1.00 0.00 C ATOM 163 CD LYS A 10 -6.797 -1.640 -19.473 1.00 0.00 C ATOM 164 CE LYS A 10 -6.860 -1.728 -20.991 1.00 0.00 C ATOM 165 NZ LYS A 10 -7.553 -2.962 -21.455 1.00 0.00 N ATOM 0 H LYS A 10 -3.529 -0.089 -17.649 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.609 1.825 -17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.514 -1.181 -17.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.008 -0.265 -17.110 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.590 0.496 -19.425 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.066 -0.371 -19.448 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.285 -2.516 -19.075 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.807 -1.647 -19.063 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.379 -0.853 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.849 -1.707 -21.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.572 -2.979 -22.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.044 -3.799 -21.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.527 -2.971 -21.091 1.00 0.00 H new ATOM 179 N GLU A 11 -4.685 0.431 -14.674 1.00 0.00 N ATOM 180 CA GLU A 11 -4.793 0.515 -13.223 1.00 0.00 C ATOM 181 C GLU A 11 -4.358 1.905 -12.761 1.00 0.00 C ATOM 182 O GLU A 11 -4.955 2.454 -11.832 1.00 0.00 O ATOM 183 CB GLU A 11 -3.931 -0.568 -12.568 1.00 0.00 C ATOM 184 CG GLU A 11 -4.157 -0.765 -11.082 1.00 0.00 C ATOM 185 CD GLU A 11 -5.550 -1.280 -10.808 1.00 0.00 C ATOM 186 OE1 GLU A 11 -6.210 -1.721 -11.725 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.946 -1.267 -9.666 1.00 0.00 O ATOM 0 H GLU A 11 -3.951 -0.199 -14.999 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.829 0.352 -12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.118 -1.514 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.882 -0.321 -12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.422 -1.468 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.006 0.180 -10.560 1.00 0.00 H new ATOM 194 N LEU A 12 -3.315 2.439 -13.406 1.00 0.00 N ATOM 195 CA LEU A 12 -2.804 3.786 -13.179 1.00 0.00 C ATOM 196 C LEU A 12 -3.914 4.789 -13.357 1.00 0.00 C ATOM 197 O LEU A 12 -4.165 5.599 -12.467 1.00 0.00 O ATOM 198 CB LEU A 12 -1.690 4.123 -14.183 1.00 0.00 C ATOM 199 CG LEU A 12 -1.081 5.526 -14.159 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.381 5.768 -12.836 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.130 5.643 -15.337 1.00 0.00 C ATOM 0 H LEU A 12 -2.792 1.929 -14.118 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.407 3.828 -12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.881 3.409 -14.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.084 3.951 -15.185 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.854 6.289 -14.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.049 6.770 -12.830 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.100 5.677 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.412 5.032 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.320 6.636 -15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.654 4.891 -15.248 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.680 5.487 -16.265 1.00 0.00 H new ATOM 213 N LEU A 13 -4.567 4.703 -14.512 1.00 0.00 N ATOM 214 CA LEU A 13 -5.654 5.589 -14.874 1.00 0.00 C ATOM 215 C LEU A 13 -6.839 5.450 -13.937 1.00 0.00 C ATOM 216 O LEU A 13 -7.485 6.455 -13.639 1.00 0.00 O ATOM 217 CB LEU A 13 -6.074 5.286 -16.310 1.00 0.00 C ATOM 218 CG LEU A 13 -5.030 5.671 -17.364 1.00 0.00 C ATOM 219 CD1 LEU A 13 -5.479 5.159 -18.726 1.00 0.00 C ATOM 220 CD2 LEU A 13 -4.858 7.182 -17.358 1.00 0.00 C ATOM 0 H LEU A 13 -4.350 4.008 -15.226 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.305 6.618 -14.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.286 4.220 -16.397 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.003 5.815 -16.524 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.065 5.217 -17.137 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.739 5.431 -19.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.580 4.074 -18.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.440 5.605 -18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.117 7.467 -18.105 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.810 7.658 -17.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.523 7.506 -16.373 1.00 0.00 H new ATOM 232 N ALA A 14 -7.132 4.232 -13.480 1.00 0.00 N ATOM 233 CA ALA A 14 -8.207 4.030 -12.520 1.00 0.00 C ATOM 234 C ALA A 14 -7.927 4.818 -11.247 1.00 0.00 C ATOM 235 O ALA A 14 -8.835 5.450 -10.713 1.00 0.00 O ATOM 236 CB ALA A 14 -8.373 2.552 -12.204 1.00 0.00 C ATOM 0 H ALA A 14 -6.643 3.381 -13.758 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.137 4.391 -12.959 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.181 2.422 -11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.611 2.009 -13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.446 2.164 -11.782 1.00 0.00 H new ATOM 242 N LEU A 15 -6.680 4.768 -10.774 1.00 0.00 N ATOM 243 CA LEU A 15 -6.260 5.512 -9.595 1.00 0.00 C ATOM 244 C LEU A 15 -6.092 7.003 -9.826 1.00 0.00 C ATOM 245 O LEU A 15 -6.193 7.779 -8.879 1.00 0.00 O ATOM 246 CB LEU A 15 -4.962 4.920 -9.073 1.00 0.00 C ATOM 247 CG LEU A 15 -5.138 3.524 -8.482 1.00 0.00 C ATOM 248 CD1 LEU A 15 -3.797 2.922 -8.132 1.00 0.00 C ATOM 249 CD2 LEU A 15 -5.983 3.652 -7.231 1.00 0.00 C ATOM 0 H LEU A 15 -5.939 4.211 -11.199 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.062 5.416 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.237 4.876 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.548 5.581 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.621 2.872 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.943 1.927 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.185 2.850 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.294 3.554 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.126 2.667 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.479 4.303 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.953 4.078 -7.489 1.00 0.00 H new ATOM 261 N GLN A 16 -5.805 7.424 -11.053 1.00 0.00 N ATOM 262 CA GLN A 16 -5.744 8.855 -11.302 1.00 0.00 C ATOM 263 C GLN A 16 -7.158 9.417 -11.306 1.00 0.00 C ATOM 264 O GLN A 16 -7.376 10.553 -10.880 1.00 0.00 O ATOM 265 CB GLN A 16 -5.039 9.167 -12.626 1.00 0.00 C ATOM 266 CG GLN A 16 -3.553 8.848 -12.643 1.00 0.00 C ATOM 267 CD GLN A 16 -2.791 9.639 -11.598 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.965 10.852 -11.456 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.940 8.942 -10.857 1.00 0.00 N ATOM 0 H GLN A 16 -5.619 6.824 -11.857 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.161 9.324 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.527 8.606 -13.423 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.173 10.225 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.409 7.782 -12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.147 9.066 -13.631 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.831 7.940 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.395 9.408 -10.132 1.00 0.00 H new ATOM 278 N ASN A 17 -8.115 8.633 -11.793 1.00 0.00 N ATOM 279 CA ASN A 17 -9.506 9.047 -11.774 1.00 0.00 C ATOM 280 C ASN A 17 -10.154 8.889 -10.400 1.00 0.00 C ATOM 281 O ASN A 17 -11.015 9.691 -10.034 1.00 0.00 O ATOM 282 CB ASN A 17 -10.280 8.268 -12.815 1.00 0.00 C ATOM 283 CG ASN A 17 -9.939 8.708 -14.211 1.00 0.00 C ATOM 284 OD1 ASN A 17 -9.473 9.833 -14.426 1.00 0.00 O ATOM 285 ND2 ASN A 17 -10.164 7.845 -15.168 1.00 0.00 N ATOM 0 H ASN A 17 -7.950 7.713 -12.203 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.533 10.111 -12.008 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.066 7.205 -12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.349 8.397 -12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.954 8.090 -16.136 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.550 6.927 -14.947 1.00 0.00 H new ATOM 292 N ASP A 18 -9.759 7.869 -9.639 1.00 0.00 N ATOM 293 CA ASP A 18 -10.329 7.662 -8.317 1.00 0.00 C ATOM 294 C ASP A 18 -9.403 6.924 -7.346 1.00 0.00 C ATOM 295 O ASP A 18 -9.506 5.705 -7.213 1.00 0.00 O ATOM 296 CB ASP A 18 -11.633 6.871 -8.466 1.00 0.00 C ATOM 297 CG ASP A 18 -12.417 6.697 -7.172 1.00 0.00 C ATOM 298 OD1 ASP A 18 -11.937 7.101 -6.141 1.00 0.00 O ATOM 299 OD2 ASP A 18 -13.495 6.154 -7.228 1.00 0.00 O ATOM 0 H ASP A 18 -9.056 7.184 -9.914 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.497 8.650 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.267 7.375 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.401 5.886 -8.871 1.00 0.00 H new ATOM 304 N PRO A 19 -8.491 7.629 -6.672 1.00 0.00 N ATOM 305 CA PRO A 19 -7.602 7.093 -5.668 1.00 0.00 C ATOM 306 C PRO A 19 -8.336 6.959 -4.332 1.00 0.00 C ATOM 307 O PRO A 19 -9.397 7.562 -4.171 1.00 0.00 O ATOM 308 CB PRO A 19 -6.508 8.160 -5.641 1.00 0.00 C ATOM 309 CG PRO A 19 -7.245 9.432 -5.971 1.00 0.00 C ATOM 310 CD PRO A 19 -8.327 9.056 -6.972 1.00 0.00 C ATOM 0 HA PRO A 19 -7.216 6.093 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.028 8.217 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.725 7.950 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.682 9.871 -5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.568 10.175 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.247 9.620 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.016 9.229 -8.002 1.00 0.00 H new ATOM 318 N PRO A 20 -7.829 6.172 -3.381 1.00 0.00 N ATOM 319 CA PRO A 20 -8.381 6.036 -2.049 1.00 0.00 C ATOM 320 C PRO A 20 -8.482 7.389 -1.322 1.00 0.00 C ATOM 321 O PRO A 20 -7.635 8.254 -1.549 1.00 0.00 O ATOM 322 CB PRO A 20 -7.344 5.111 -1.399 1.00 0.00 C ATOM 323 CG PRO A 20 -6.734 4.358 -2.544 1.00 0.00 C ATOM 324 CD PRO A 20 -6.663 5.341 -3.691 1.00 0.00 C ATOM 0 HA PRO A 20 -9.402 5.655 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.591 5.681 -0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.811 4.434 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.742 3.987 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.339 3.491 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.734 5.911 -3.696 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.744 4.855 -4.663 1.00 0.00 H new ATOM 332 N PRO A 21 -9.499 7.612 -0.482 1.00 0.00 N ATOM 333 CA PRO A 21 -9.670 8.827 0.285 1.00 0.00 C ATOM 334 C PRO A 21 -8.441 9.163 1.114 1.00 0.00 C ATOM 335 O PRO A 21 -7.967 8.343 1.902 1.00 0.00 O ATOM 336 CB PRO A 21 -10.868 8.452 1.165 1.00 0.00 C ATOM 337 CG PRO A 21 -11.614 7.428 0.358 1.00 0.00 C ATOM 338 CD PRO A 21 -10.548 6.600 -0.323 1.00 0.00 C ATOM 0 HA PRO A 21 -9.820 9.719 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.546 8.045 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.491 9.320 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.245 6.809 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.268 7.904 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.224 5.756 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.883 6.194 -1.277 1.00 0.00 H new ATOM 346 N GLY A 22 -7.943 10.383 0.945 1.00 0.00 N ATOM 347 CA GLY A 22 -6.758 10.840 1.659 1.00 0.00 C ATOM 348 C GLY A 22 -5.472 10.311 1.025 1.00 0.00 C ATOM 349 O GLY A 22 -4.419 10.310 1.660 1.00 0.00 O ATOM 0 H GLY A 22 -8.345 11.077 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.737 11.930 1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.812 10.514 2.698 1.00 0.00 H new ATOM 353 N MET A 23 -5.549 9.844 -0.222 1.00 0.00 N ATOM 354 CA MET A 23 -4.388 9.295 -0.913 1.00 0.00 C ATOM 355 C MET A 23 -4.207 9.725 -2.372 1.00 0.00 C ATOM 356 O MET A 23 -5.174 10.041 -3.065 1.00 0.00 O ATOM 357 CB MET A 23 -4.478 7.777 -0.829 1.00 0.00 C ATOM 358 CG MET A 23 -3.376 7.022 -1.532 1.00 0.00 C ATOM 359 SD MET A 23 -3.542 5.253 -1.340 1.00 0.00 S ATOM 360 CE MET A 23 -2.920 4.987 0.312 1.00 0.00 C ATOM 0 H MET A 23 -6.407 9.836 -0.773 1.00 0.00 H new ATOM 0 HA MET A 23 -3.510 9.699 -0.409 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.480 7.488 0.222 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.434 7.463 -1.248 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.385 7.273 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.411 7.340 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.068 3.944 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.857 5.224 0.343 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.456 5.630 1.010 1.00 0.00 H new ATOM 370 N THR A 24 -2.947 9.756 -2.824 1.00 0.00 N ATOM 371 CA THR A 24 -2.639 10.113 -4.207 1.00 0.00 C ATOM 372 C THR A 24 -1.481 9.304 -4.794 1.00 0.00 C ATOM 373 O THR A 24 -0.543 8.891 -4.110 1.00 0.00 O ATOM 374 CB THR A 24 -2.286 11.599 -4.336 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.133 11.923 -5.724 1.00 0.00 O ATOM 376 CG2 THR A 24 -0.982 11.884 -3.611 1.00 0.00 C ATOM 0 H THR A 24 -2.131 9.539 -2.252 1.00 0.00 H new ATOM 0 HA THR A 24 -3.546 9.884 -4.766 1.00 0.00 H new ATOM 0 HB THR A 24 -3.081 12.200 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.909 12.873 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.736 12.942 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.089 11.630 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.184 11.285 -4.049 1.00 0.00 H new ATOM 384 N LEU A 25 -1.551 9.117 -6.110 1.00 0.00 N ATOM 385 CA LEU A 25 -0.593 8.300 -6.851 1.00 0.00 C ATOM 386 C LEU A 25 0.382 9.010 -7.792 1.00 0.00 C ATOM 387 O LEU A 25 -0.013 9.657 -8.765 1.00 0.00 O ATOM 388 CB LEU A 25 -1.384 7.279 -7.674 1.00 0.00 C ATOM 389 CG LEU A 25 -0.540 6.407 -8.600 1.00 0.00 C ATOM 390 CD1 LEU A 25 0.403 5.573 -7.778 1.00 0.00 C ATOM 391 CD2 LEU A 25 -1.444 5.487 -9.387 1.00 0.00 C ATOM 0 H LEU A 25 -2.277 9.530 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 25 0.047 7.873 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.934 6.632 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.123 7.811 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 25 0.024 7.045 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.007 4.950 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.056 6.226 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.169 4.938 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.842 4.864 -10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.004 4.852 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.139 6.080 -9.981 1.00 0.00 H new ATOM 403 N ASN A 26 1.672 8.840 -7.506 1.00 0.00 N ATOM 404 CA ASN A 26 2.757 9.388 -8.304 1.00 0.00 C ATOM 405 C ASN A 26 3.433 8.323 -9.179 1.00 0.00 C ATOM 406 O ASN A 26 3.671 7.183 -8.769 1.00 0.00 O ATOM 407 CB ASN A 26 3.779 10.042 -7.391 1.00 0.00 C ATOM 408 CG ASN A 26 3.246 11.248 -6.668 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.625 12.130 -7.274 1.00 0.00 O ATOM 410 ND2 ASN A 26 3.479 11.303 -5.381 1.00 0.00 N ATOM 0 H ASN A 26 1.993 8.307 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 26 2.331 10.131 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.123 9.311 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.648 10.335 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.144 12.097 -4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.996 10.552 -4.924 1.00 0.00 H new ATOM 542 N THR A 35 10.091 1.261 -12.230 1.00 0.00 N ATOM 543 CA THR A 35 9.433 -0.023 -12.006 1.00 0.00 C ATOM 544 C THR A 35 8.469 -0.073 -10.824 1.00 0.00 C ATOM 545 O THR A 35 7.952 -1.150 -10.525 1.00 0.00 O ATOM 546 CB THR A 35 10.491 -1.122 -11.784 1.00 0.00 C ATOM 547 OG1 THR A 35 11.288 -0.789 -10.640 1.00 0.00 O ATOM 548 CG2 THR A 35 11.392 -1.250 -13.002 1.00 0.00 C ATOM 0 HA THR A 35 8.839 -0.180 -12.906 1.00 0.00 H new ATOM 0 HB THR A 35 9.981 -2.072 -11.622 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.274 0.181 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.132 -2.031 -12.827 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.791 -1.509 -13.874 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.900 -0.302 -13.180 1.00 0.00 H new ATOM 556 N GLN A 36 8.231 1.060 -10.168 1.00 0.00 N ATOM 557 CA GLN A 36 7.343 1.080 -9.017 1.00 0.00 C ATOM 558 C GLN A 36 6.558 2.373 -8.867 1.00 0.00 C ATOM 559 O GLN A 36 6.962 3.424 -9.359 1.00 0.00 O ATOM 560 CB GLN A 36 8.138 0.884 -7.723 1.00 0.00 C ATOM 561 CG GLN A 36 9.099 2.012 -7.405 1.00 0.00 C ATOM 562 CD GLN A 36 9.906 1.743 -6.151 1.00 0.00 C ATOM 563 OE1 GLN A 36 9.740 0.716 -5.487 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.796 2.673 -5.821 1.00 0.00 N ATOM 0 H GLN A 36 8.636 1.964 -10.412 1.00 0.00 H new ATOM 0 HA GLN A 36 6.639 0.266 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.439 0.773 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.700 -0.047 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.777 2.157 -8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.540 2.939 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.900 3.507 -6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.375 2.553 -4.990 1.00 0.00 H new ATOM 573 N TRP A 37 5.426 2.279 -8.183 1.00 0.00 N ATOM 574 CA TRP A 37 4.607 3.448 -7.895 1.00 0.00 C ATOM 575 C TRP A 37 4.881 4.042 -6.536 1.00 0.00 C ATOM 576 O TRP A 37 5.237 3.336 -5.592 1.00 0.00 O ATOM 577 CB TRP A 37 3.127 3.135 -7.968 1.00 0.00 C ATOM 578 CG TRP A 37 2.614 2.969 -9.352 1.00 0.00 C ATOM 579 CD1 TRP A 37 3.247 3.318 -10.503 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.338 2.415 -9.738 1.00 0.00 C ATOM 581 NE1 TRP A 37 2.458 3.021 -11.579 1.00 0.00 N ATOM 582 CE2 TRP A 37 1.286 2.462 -11.130 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.256 1.890 -9.018 1.00 0.00 C ATOM 584 CZ2 TRP A 37 0.189 2.000 -11.829 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.843 1.425 -9.722 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.870 1.479 -11.088 1.00 0.00 C ATOM 0 H TRP A 37 5.053 1.403 -7.817 1.00 0.00 H new ATOM 0 HA TRP A 37 4.881 4.171 -8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.931 2.222 -7.406 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.572 3.935 -7.479 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.229 3.764 -10.559 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.700 3.187 -12.556 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.278 1.849 -7.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.153 2.041 -12.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.687 1.016 -9.186 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.739 1.106 -11.609 1.00 0.00 H new ATOM 597 N ILE A 38 4.689 5.356 -6.450 1.00 0.00 N ATOM 598 CA ILE A 38 4.890 6.094 -5.214 1.00 0.00 C ATOM 599 C ILE A 38 3.542 6.615 -4.737 1.00 0.00 C ATOM 600 O ILE A 38 2.903 7.440 -5.386 1.00 0.00 O ATOM 601 CB ILE A 38 5.891 7.237 -5.424 1.00 0.00 C ATOM 602 CG1 ILE A 38 7.234 6.661 -5.881 1.00 0.00 C ATOM 603 CG2 ILE A 38 6.028 8.042 -4.145 1.00 0.00 C ATOM 604 CD1 ILE A 38 8.228 7.710 -6.318 1.00 0.00 C ATOM 0 H ILE A 38 4.390 5.934 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 38 5.310 5.438 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 38 5.532 7.911 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.666 6.081 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.061 5.971 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.740 8.853 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.058 8.458 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.384 7.394 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.155 7.227 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.817 8.275 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.431 8.387 -5.488 1.00 0.00 H new ATOM 616 N VAL A 39 3.098 6.131 -3.590 1.00 0.00 N ATOM 617 CA VAL A 39 1.790 6.505 -3.088 1.00 0.00 C ATOM 618 C VAL A 39 1.812 7.261 -1.771 1.00 0.00 C ATOM 619 O VAL A 39 2.326 6.787 -0.762 1.00 0.00 O ATOM 620 CB VAL A 39 0.952 5.232 -2.960 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.391 5.557 -2.377 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.753 4.625 -4.335 1.00 0.00 C ATOM 0 H VAL A 39 3.618 5.486 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 39 1.355 7.204 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 39 1.471 4.529 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.980 4.644 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.261 6.001 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.909 6.262 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.156 3.717 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.237 5.339 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.723 4.382 -4.769 1.00 0.00 H new ATOM 632 N ASP A 40 1.218 8.446 -1.769 1.00 0.00 N ATOM 633 CA ASP A 40 1.225 9.260 -0.564 1.00 0.00 C ATOM 634 C ASP A 40 -0.127 9.283 0.131 1.00 0.00 C ATOM 635 O ASP A 40 -1.165 9.330 -0.526 1.00 0.00 O ATOM 636 CB ASP A 40 1.653 10.692 -0.884 1.00 0.00 C ATOM 637 CG ASP A 40 3.115 10.838 -1.303 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.866 9.911 -1.124 1.00 0.00 O ATOM 639 OD2 ASP A 40 3.483 11.901 -1.752 1.00 0.00 O ATOM 0 H ASP A 40 0.736 8.857 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 40 1.943 8.801 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.019 11.077 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.475 11.315 -0.008 1.00 0.00 H new ATOM 644 N MET A 41 -0.135 9.276 1.464 1.00 0.00 N ATOM 645 CA MET A 41 -1.427 9.357 2.138 1.00 0.00 C ATOM 646 C MET A 41 -1.379 10.034 3.500 1.00 0.00 C ATOM 647 O MET A 41 -0.338 10.133 4.147 1.00 0.00 O ATOM 648 CB MET A 41 -2.040 7.970 2.343 1.00 0.00 C ATOM 649 CG MET A 41 -1.238 7.063 3.265 1.00 0.00 C ATOM 650 SD MET A 41 -1.948 5.422 3.520 1.00 0.00 S ATOM 651 CE MET A 41 -0.805 4.639 4.658 1.00 0.00 C ATOM 0 H MET A 41 0.686 9.219 2.067 1.00 0.00 H new ATOM 0 HA MET A 41 -2.035 9.966 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.045 8.086 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.143 7.484 1.373 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.234 6.949 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.134 7.553 4.233 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.148 3.628 4.880 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.186 4.595 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.757 5.217 5.581 1.00 0.00 H new ATOM 661 N GLU A 42 -2.543 10.504 3.935 1.00 0.00 N ATOM 662 CA GLU A 42 -2.680 11.163 5.227 1.00 0.00 C ATOM 663 C GLU A 42 -3.430 10.318 6.249 1.00 0.00 C ATOM 664 O GLU A 42 -4.464 9.723 5.938 1.00 0.00 O ATOM 665 CB GLU A 42 -3.393 12.506 5.065 1.00 0.00 C ATOM 666 CG GLU A 42 -3.548 13.298 6.358 1.00 0.00 C ATOM 667 CD GLU A 42 -4.215 14.629 6.143 1.00 0.00 C ATOM 668 OE1 GLU A 42 -4.533 14.934 5.018 1.00 0.00 O ATOM 669 OE2 GLU A 42 -4.406 15.343 7.099 1.00 0.00 O ATOM 0 H GLU A 42 -3.412 10.439 3.405 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.668 11.314 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.841 13.112 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.381 12.330 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.131 12.714 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.566 13.455 6.804 1.00 0.00 H new ATOM 676 N GLY A 43 -2.890 10.265 7.462 1.00 0.00 N ATOM 677 CA GLY A 43 -3.496 9.561 8.582 1.00 0.00 C ATOM 678 C GLY A 43 -4.905 10.082 8.828 1.00 0.00 C ATOM 679 O GLY A 43 -5.115 11.265 9.101 1.00 0.00 O ATOM 0 H GLY A 43 -2.006 10.717 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.527 8.491 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.889 9.695 9.477 1.00 0.00 H new ATOM 683 N ALA A 44 -5.865 9.171 8.706 1.00 0.00 N ATOM 684 CA ALA A 44 -7.285 9.468 8.841 1.00 0.00 C ATOM 685 C ALA A 44 -7.649 10.158 10.170 1.00 0.00 C ATOM 686 O ALA A 44 -7.173 9.733 11.230 1.00 0.00 O ATOM 687 CB ALA A 44 -8.087 8.182 8.731 1.00 0.00 C ATOM 0 H ALA A 44 -5.674 8.189 8.507 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.528 10.163 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.149 8.406 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.904 7.721 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.784 7.495 9.522 1.00 0.00 H new ATOM 693 N PRO A 45 -8.484 11.210 10.117 1.00 0.00 N ATOM 694 CA PRO A 45 -8.978 11.939 11.261 1.00 0.00 C ATOM 695 C PRO A 45 -9.654 11.072 12.294 1.00 0.00 C ATOM 696 O PRO A 45 -10.474 10.211 11.967 1.00 0.00 O ATOM 697 CB PRO A 45 -9.955 12.915 10.599 1.00 0.00 C ATOM 698 CG PRO A 45 -9.398 13.118 9.221 1.00 0.00 C ATOM 699 CD PRO A 45 -8.828 11.786 8.809 1.00 0.00 C ATOM 0 HA PRO A 45 -8.183 12.412 11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.964 12.505 10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.012 13.855 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.175 13.442 8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.628 13.890 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.553 11.177 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.956 11.893 8.163 1.00 0.00 H new ATOM 707 N GLY A 46 -9.322 11.327 13.552 1.00 0.00 N ATOM 708 CA GLY A 46 -9.883 10.565 14.651 1.00 0.00 C ATOM 709 C GLY A 46 -9.034 9.353 15.014 1.00 0.00 C ATOM 710 O GLY A 46 -9.325 8.689 16.011 1.00 0.00 O ATOM 0 H GLY A 46 -8.667 12.056 13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.981 11.211 15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.887 10.235 14.385 1.00 0.00 H new ATOM 714 N THR A 47 -7.995 9.045 14.232 1.00 0.00 N ATOM 715 CA THR A 47 -7.173 7.898 14.576 1.00 0.00 C ATOM 716 C THR A 47 -5.901 8.372 15.240 1.00 0.00 C ATOM 717 O THR A 47 -5.593 9.564 15.282 1.00 0.00 O ATOM 718 CB THR A 47 -6.738 7.059 13.362 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.796 7.813 12.587 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.944 6.719 12.499 1.00 0.00 C ATOM 0 H THR A 47 -7.717 9.553 13.393 1.00 0.00 H new ATOM 0 HA THR A 47 -7.792 7.280 15.226 1.00 0.00 H new ATOM 0 HB THR A 47 -6.281 6.133 13.710 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.277 8.425 11.992 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.623 6.125 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.663 6.149 13.087 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.411 7.639 12.148 1.00 0.00 H new ATOM 728 N LEU A 48 -5.124 7.401 15.699 1.00 0.00 N ATOM 729 CA LEU A 48 -3.856 7.636 16.368 1.00 0.00 C ATOM 730 C LEU A 48 -2.789 8.214 15.442 1.00 0.00 C ATOM 731 O LEU A 48 -1.760 8.691 15.919 1.00 0.00 O ATOM 732 CB LEU A 48 -3.347 6.314 16.952 1.00 0.00 C ATOM 733 CG LEU A 48 -4.203 5.730 18.081 1.00 0.00 C ATOM 734 CD1 LEU A 48 -3.664 4.360 18.466 1.00 0.00 C ATOM 735 CD2 LEU A 48 -4.177 6.683 19.266 1.00 0.00 C ATOM 0 H LEU A 48 -5.362 6.413 15.615 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.037 8.373 17.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.283 5.580 16.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.334 6.466 17.326 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.236 5.611 17.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.271 3.943 19.269 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.702 3.698 17.601 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.632 4.457 18.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.784 6.275 20.074 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.150 6.808 19.610 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.578 7.650 18.964 1.00 0.00 H new ATOM 747 N TYR A 49 -3.024 8.171 14.129 1.00 0.00 N ATOM 748 CA TYR A 49 -2.068 8.682 13.174 1.00 0.00 C ATOM 749 C TYR A 49 -2.573 9.934 12.470 1.00 0.00 C ATOM 750 O TYR A 49 -1.967 10.327 11.472 1.00 0.00 O ATOM 751 CB TYR A 49 -1.783 7.587 12.159 1.00 0.00 C ATOM 752 CG TYR A 49 -1.164 6.350 12.777 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.210 6.192 12.901 1.00 0.00 C ATOM 754 CD2 TYR A 49 -2.004 5.343 13.217 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.742 5.041 13.456 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.473 4.200 13.775 1.00 0.00 C ATOM 757 CZ TYR A 49 -0.097 4.040 13.898 1.00 0.00 C ATOM 758 OH TYR A 49 0.409 2.882 14.456 1.00 0.00 O ATOM 0 H TYR A 49 -3.872 7.785 13.713 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.159 8.966 13.703 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.712 7.311 11.661 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.114 7.976 11.392 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.871 6.976 12.561 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.074 5.452 13.123 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.812 4.927 13.543 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.134 3.419 14.121 1.00 0.00 H new ATOM 0 HH TYR A 49 1.387 2.938 14.496 1.00 0.00 H new ATOM 768 N GLU A 50 -3.642 10.556 12.983 1.00 0.00 N ATOM 769 CA GLU A 50 -4.226 11.717 12.320 1.00 0.00 C ATOM 770 C GLU A 50 -3.279 12.831 11.912 1.00 0.00 C ATOM 771 O GLU A 50 -2.576 13.420 12.735 1.00 0.00 O ATOM 772 CB GLU A 50 -5.297 12.337 13.216 1.00 0.00 C ATOM 773 CG GLU A 50 -5.914 13.600 12.627 1.00 0.00 C ATOM 774 CD GLU A 50 -7.041 14.171 13.447 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.551 13.478 14.295 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.399 15.303 13.219 1.00 0.00 O ATOM 0 H GLU A 50 -4.111 10.276 13.844 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.615 11.303 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.084 11.604 13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.859 12.573 14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.136 14.356 12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.283 13.379 11.625 1.00 0.00 H new ATOM 783 N GLY A 51 -3.304 13.118 10.609 1.00 0.00 N ATOM 784 CA GLY A 51 -2.516 14.180 9.996 1.00 0.00 C ATOM 785 C GLY A 51 -1.121 13.755 9.542 1.00 0.00 C ATOM 786 O GLY A 51 -0.421 14.536 8.896 1.00 0.00 O ATOM 0 H GLY A 51 -3.883 12.608 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.061 14.569 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.418 14.999 10.708 1.00 0.00 H new ATOM 790 N GLU A 52 -0.704 12.536 9.875 1.00 0.00 N ATOM 791 CA GLU A 52 0.629 12.068 9.523 1.00 0.00 C ATOM 792 C GLU A 52 0.759 11.650 8.067 1.00 0.00 C ATOM 793 O GLU A 52 -0.124 11.010 7.501 1.00 0.00 O ATOM 794 CB GLU A 52 1.009 10.923 10.457 1.00 0.00 C ATOM 795 CG GLU A 52 2.424 10.394 10.308 1.00 0.00 C ATOM 796 CD GLU A 52 2.722 9.385 11.376 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.848 9.137 12.168 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.817 8.876 11.422 1.00 0.00 O ATOM 0 H GLU A 52 -1.269 11.858 10.386 1.00 0.00 H new ATOM 0 HA GLU A 52 1.318 12.903 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.872 11.257 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.314 10.099 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.547 9.939 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.135 11.218 10.369 1.00 0.00 H new ATOM 805 N LYS A 53 1.846 12.069 7.428 1.00 0.00 N ATOM 806 CA LYS A 53 2.061 11.697 6.036 1.00 0.00 C ATOM 807 C LYS A 53 2.818 10.382 5.906 1.00 0.00 C ATOM 808 O LYS A 53 3.869 10.195 6.521 1.00 0.00 O ATOM 809 CB LYS A 53 2.816 12.771 5.259 1.00 0.00 C ATOM 810 CG LYS A 53 2.917 12.384 3.791 1.00 0.00 C ATOM 811 CD LYS A 53 3.586 13.415 2.898 1.00 0.00 C ATOM 812 CE LYS A 53 3.554 12.861 1.485 1.00 0.00 C ATOM 813 NZ LYS A 53 4.162 13.737 0.448 1.00 0.00 N ATOM 0 H LYS A 53 2.575 12.652 7.839 1.00 0.00 H new ATOM 0 HA LYS A 53 1.064 11.584 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.304 13.728 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.814 12.900 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.469 11.447 3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.913 12.194 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.062 14.369 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.612 13.596 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.071 11.902 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.517 12.667 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.047 13.298 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.690 14.664 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.174 13.863 0.650 1.00 0.00 H new ATOM 827 N PHE A 54 2.276 9.478 5.097 1.00 0.00 N ATOM 828 CA PHE A 54 2.881 8.178 4.859 1.00 0.00 C ATOM 829 C PHE A 54 3.196 7.994 3.386 1.00 0.00 C ATOM 830 O PHE A 54 2.578 8.616 2.521 1.00 0.00 O ATOM 831 CB PHE A 54 1.902 7.080 5.221 1.00 0.00 C ATOM 832 CG PHE A 54 1.478 7.099 6.647 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.221 6.452 7.615 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.325 7.781 7.008 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.813 6.490 8.927 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.078 7.818 8.324 1.00 0.00 C ATOM 837 CZ PHE A 54 0.673 7.169 9.275 1.00 0.00 C ATOM 0 H PHE A 54 1.404 9.629 4.589 1.00 0.00 H new ATOM 0 HA PHE A 54 3.788 8.127 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.019 7.170 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.356 6.114 4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.119 5.918 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.259 8.285 6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.391 5.984 9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.974 8.351 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.362 7.194 10.309 1.00 0.00 H new ATOM 847 N GLN A 55 4.148 7.113 3.096 1.00 0.00 N ATOM 848 CA GLN A 55 4.489 6.863 1.704 1.00 0.00 C ATOM 849 C GLN A 55 4.722 5.379 1.446 1.00 0.00 C ATOM 850 O GLN A 55 5.507 4.722 2.131 1.00 0.00 O ATOM 851 CB GLN A 55 5.708 7.685 1.295 1.00 0.00 C ATOM 852 CG GLN A 55 6.064 7.570 -0.174 1.00 0.00 C ATOM 853 CD GLN A 55 7.172 8.535 -0.549 1.00 0.00 C ATOM 854 OE1 GLN A 55 8.365 8.287 -0.356 1.00 0.00 O ATOM 855 NE2 GLN A 55 6.762 9.678 -1.089 1.00 0.00 N ATOM 0 H GLN A 55 4.680 6.577 3.782 1.00 0.00 H new ATOM 0 HA GLN A 55 3.643 7.173 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.523 8.733 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.564 7.369 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.377 6.550 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.182 7.772 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.766 9.846 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.443 10.387 -1.360 1.00 0.00 H new ATOM 864 N LEU A 56 4.003 4.866 0.449 1.00 0.00 N ATOM 865 CA LEU A 56 4.058 3.472 0.045 1.00 0.00 C ATOM 866 C LEU A 56 4.677 3.248 -1.327 1.00 0.00 C ATOM 867 O LEU A 56 4.559 4.063 -2.241 1.00 0.00 O ATOM 868 CB LEU A 56 2.643 2.877 0.008 1.00 0.00 C ATOM 869 CG LEU A 56 1.829 2.861 1.304 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.419 2.370 1.003 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.508 1.926 2.285 1.00 0.00 C ATOM 0 H LEU A 56 3.355 5.423 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 56 4.691 2.985 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.070 3.428 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.723 1.850 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 56 1.771 3.862 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.166 2.356 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.053 3.038 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.465 1.363 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.942 1.902 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.552 0.923 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.519 2.280 2.485 1.00 0.00 H new ATOM 883 N LEU A 57 5.354 2.118 -1.473 1.00 0.00 N ATOM 884 CA LEU A 57 5.904 1.742 -2.759 1.00 0.00 C ATOM 885 C LEU A 57 5.184 0.515 -3.252 1.00 0.00 C ATOM 886 O LEU A 57 4.827 -0.353 -2.460 1.00 0.00 O ATOM 887 CB LEU A 57 7.401 1.458 -2.679 1.00 0.00 C ATOM 888 CG LEU A 57 8.244 2.635 -2.211 1.00 0.00 C ATOM 889 CD1 LEU A 57 9.695 2.193 -2.082 1.00 0.00 C ATOM 890 CD2 LEU A 57 8.087 3.781 -3.206 1.00 0.00 C ATOM 0 H LEU A 57 5.533 1.453 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 57 5.766 2.575 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.563 0.620 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.751 1.145 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 57 7.913 2.985 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.303 3.033 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.765 1.382 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.057 1.846 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.687 4.630 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.422 3.456 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.039 4.076 -3.259 1.00 0.00 H new ATOM 902 N PHE A 58 4.943 0.475 -4.556 1.00 0.00 N ATOM 903 CA PHE A 58 4.330 -0.662 -5.236 1.00 0.00 C ATOM 904 C PHE A 58 5.251 -1.118 -6.353 1.00 0.00 C ATOM 905 O PHE A 58 5.221 -0.553 -7.442 1.00 0.00 O ATOM 906 CB PHE A 58 2.936 -0.288 -5.748 1.00 0.00 C ATOM 907 CG PHE A 58 1.948 -0.008 -4.653 1.00 0.00 C ATOM 908 CD1 PHE A 58 1.948 1.179 -3.936 1.00 0.00 C ATOM 909 CD2 PHE A 58 0.989 -0.958 -4.348 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.033 1.381 -2.921 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.071 -0.754 -3.339 1.00 0.00 C ATOM 912 CZ PHE A 58 0.100 0.416 -2.618 1.00 0.00 C ATOM 0 H PHE A 58 5.172 1.246 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 58 4.196 -1.492 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.017 0.592 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.557 -1.099 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.667 1.949 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.959 -1.879 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.050 2.304 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.667 -1.510 -3.116 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.606 0.577 -1.817 1.00 0.00 H new ATOM 922 N LYS A 59 6.116 -2.090 -6.081 1.00 0.00 N ATOM 923 CA LYS A 59 7.050 -2.555 -7.099 1.00 0.00 C ATOM 924 C LYS A 59 6.391 -3.544 -8.027 1.00 0.00 C ATOM 925 O LYS A 59 6.010 -4.640 -7.618 1.00 0.00 O ATOM 926 CB LYS A 59 8.276 -3.189 -6.461 1.00 0.00 C ATOM 927 CG LYS A 59 9.355 -3.610 -7.446 1.00 0.00 C ATOM 928 CD LYS A 59 10.553 -4.194 -6.711 1.00 0.00 C ATOM 929 CE LYS A 59 11.642 -4.639 -7.675 1.00 0.00 C ATOM 930 NZ LYS A 59 12.811 -5.215 -6.955 1.00 0.00 N ATOM 0 H LYS A 59 6.190 -2.564 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 59 7.363 -1.686 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.706 -2.483 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.962 -4.063 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.953 -4.347 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.669 -2.751 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.957 -3.450 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.231 -5.043 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.238 -5.380 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.967 -3.789 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.533 -5.507 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.212 -4.499 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.505 -6.041 -6.402 1.00 0.00 H new ATOM 944 N PHE A 60 6.314 -3.192 -9.300 1.00 0.00 N ATOM 945 CA PHE A 60 5.639 -4.068 -10.240 1.00 0.00 C ATOM 946 C PHE A 60 6.581 -5.047 -10.915 1.00 0.00 C ATOM 947 O PHE A 60 7.523 -4.664 -11.611 1.00 0.00 O ATOM 948 CB PHE A 60 4.803 -3.258 -11.226 1.00 0.00 C ATOM 949 CG PHE A 60 3.662 -2.622 -10.494 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.492 -3.322 -10.272 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.762 -1.335 -10.000 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.439 -2.767 -9.572 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.713 -0.782 -9.300 1.00 0.00 C ATOM 954 CZ PHE A 60 1.551 -1.488 -9.082 1.00 0.00 C ATOM 0 H PHE A 60 6.697 -2.334 -9.696 1.00 0.00 H new ATOM 0 HA PHE A 60 4.951 -4.694 -9.672 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.418 -2.494 -11.701 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.427 -3.904 -12.020 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.399 -4.327 -10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.663 -0.763 -10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.534 -3.334 -9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.803 0.223 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.736 -1.041 -8.532 1.00 0.00 H new ATOM 964 N SER A 61 6.297 -6.320 -10.669 1.00 0.00 N ATOM 965 CA SER A 61 7.014 -7.462 -11.214 1.00 0.00 C ATOM 966 C SER A 61 6.906 -7.550 -12.715 1.00 0.00 C ATOM 967 O SER A 61 5.872 -7.219 -13.286 1.00 0.00 O ATOM 968 CB SER A 61 6.482 -8.769 -10.660 1.00 0.00 C ATOM 969 OG SER A 61 7.110 -9.850 -11.302 1.00 0.00 O ATOM 0 H SER A 61 5.528 -6.594 -10.058 1.00 0.00 H new ATOM 0 HA SER A 61 8.053 -7.308 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.661 -8.819 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.403 -8.824 -10.807 1.00 0.00 H new ATOM 0 HG SER A 61 6.764 -10.692 -10.939 1.00 0.00 H new ATOM 975 N SER A 62 7.947 -8.058 -13.369 1.00 0.00 N ATOM 976 CA SER A 62 7.901 -8.238 -14.820 1.00 0.00 C ATOM 977 C SER A 62 6.843 -9.275 -15.234 1.00 0.00 C ATOM 978 O SER A 62 6.456 -9.333 -16.402 1.00 0.00 O ATOM 979 CB SER A 62 9.258 -8.672 -15.336 1.00 0.00 C ATOM 980 OG SER A 62 9.572 -9.962 -14.891 1.00 0.00 O ATOM 0 H SER A 62 8.820 -8.349 -12.928 1.00 0.00 H new ATOM 0 HA SER A 62 7.627 -7.278 -15.258 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.262 -8.648 -16.426 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.021 -7.971 -14.999 1.00 0.00 H new ATOM 0 HG SER A 62 10.451 -10.223 -15.237 1.00 0.00 H new ATOM 986 N ARG A 63 6.391 -10.096 -14.282 1.00 0.00 N ATOM 987 CA ARG A 63 5.337 -11.073 -14.484 1.00 0.00 C ATOM 988 C ARG A 63 3.942 -10.536 -14.166 1.00 0.00 C ATOM 989 O ARG A 63 2.970 -11.191 -14.534 1.00 0.00 O ATOM 990 CB ARG A 63 5.576 -12.285 -13.607 1.00 0.00 C ATOM 991 CG ARG A 63 6.771 -13.153 -13.948 1.00 0.00 C ATOM 992 CD ARG A 63 6.882 -14.197 -12.908 1.00 0.00 C ATOM 993 NE ARG A 63 7.933 -15.171 -13.121 1.00 0.00 N ATOM 994 CZ ARG A 63 8.263 -16.094 -12.197 1.00 0.00 C ATOM 995 NH1 ARG A 63 7.631 -16.118 -11.041 1.00 0.00 N ATOM 996 NH2 ARG A 63 9.219 -16.972 -12.448 1.00 0.00 N ATOM 0 H ARG A 63 6.761 -10.094 -13.331 1.00 0.00 H new ATOM 0 HA ARG A 63 5.370 -11.330 -15.543 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.688 -11.943 -12.578 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.683 -12.909 -13.640 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.646 -13.605 -14.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.680 -12.553 -13.986 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.047 -13.712 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.930 -14.723 -12.841 1.00 0.00 H new ATOM 0 HE ARG A 63 8.443 -15.157 -14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.895 -15.439 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.878 -16.815 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.708 -16.951 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.467 -17.670 -11.747 1.00 0.00 H new ATOM 1010 N TYR A 64 3.849 -9.366 -13.522 1.00 0.00 N ATOM 1011 CA TYR A 64 2.600 -8.730 -13.114 1.00 0.00 C ATOM 1012 C TYR A 64 1.662 -8.619 -14.304 1.00 0.00 C ATOM 1013 O TYR A 64 2.093 -8.157 -15.358 1.00 0.00 O ATOM 1014 CB TYR A 64 2.872 -7.331 -12.549 1.00 0.00 C ATOM 1015 CG TYR A 64 1.631 -6.594 -12.114 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.105 -6.784 -10.846 1.00 0.00 C ATOM 1017 CD2 TYR A 64 1.008 -5.739 -13.013 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.045 -6.112 -10.484 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.144 -5.076 -12.648 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.668 -5.259 -11.387 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.815 -4.598 -11.013 1.00 0.00 O ATOM 0 H TYR A 64 4.672 -8.821 -13.264 1.00 0.00 H new ATOM 0 HA TYR A 64 2.137 -9.343 -12.341 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.547 -7.419 -11.698 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.388 -6.739 -13.305 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.590 -7.451 -10.148 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.426 -5.593 -13.998 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.461 -6.249 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.634 -4.415 -13.348 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.128 -4.040 -11.755 1.00 0.00 H new ATOM 1031 N PRO A 65 0.385 -8.971 -14.158 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.325 -9.415 -12.973 1.00 0.00 C ATOM 1033 C PRO A 65 -0.363 -10.903 -12.653 1.00 0.00 C ATOM 1034 O PRO A 65 -1.322 -11.370 -12.041 1.00 0.00 O ATOM 1035 CB PRO A 65 -1.711 -8.855 -13.304 1.00 0.00 C ATOM 1036 CG PRO A 65 -1.827 -8.979 -14.795 1.00 0.00 C ATOM 1037 CD PRO A 65 -0.445 -8.667 -15.324 1.00 0.00 C ATOM 0 HA PRO A 65 0.164 -9.076 -12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.496 -9.417 -12.798 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.805 -7.817 -12.985 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.143 -9.981 -15.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.567 -8.285 -15.192 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.186 -9.283 -16.185 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.350 -7.627 -15.636 1.00 0.00 H new ATOM 1045 N PHE A 66 0.611 -11.674 -13.113 1.00 0.00 N ATOM 1046 CA PHE A 66 0.695 -13.070 -12.704 1.00 0.00 C ATOM 1047 C PHE A 66 1.105 -13.077 -11.229 1.00 0.00 C ATOM 1048 O PHE A 66 0.455 -13.702 -10.390 1.00 0.00 O ATOM 1049 CB PHE A 66 1.694 -13.835 -13.574 1.00 0.00 C ATOM 1050 CG PHE A 66 1.878 -15.281 -13.229 1.00 0.00 C ATOM 1051 CD1 PHE A 66 0.928 -16.226 -13.585 1.00 0.00 C ATOM 1052 CD2 PHE A 66 3.012 -15.698 -12.552 1.00 0.00 C ATOM 1053 CE1 PHE A 66 1.111 -17.559 -13.267 1.00 0.00 C ATOM 1054 CE2 PHE A 66 3.199 -17.027 -12.234 1.00 0.00 C ATOM 1055 CZ PHE A 66 2.245 -17.960 -12.592 1.00 0.00 C ATOM 0 H PHE A 66 1.341 -11.367 -13.756 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.263 -13.573 -12.831 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.371 -13.766 -14.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.662 -13.338 -13.507 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.038 -15.919 -14.115 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.760 -14.972 -12.269 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.365 -18.288 -13.548 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.089 -17.337 -11.707 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.387 -19.001 -12.344 1.00 0.00 H new ATOM 1065 N ASP A 67 2.211 -12.390 -10.934 1.00 0.00 N ATOM 1066 CA ASP A 67 2.706 -12.220 -9.571 1.00 0.00 C ATOM 1067 C ASP A 67 2.283 -10.879 -8.976 1.00 0.00 C ATOM 1068 O ASP A 67 2.028 -9.921 -9.709 1.00 0.00 O ATOM 1069 CB ASP A 67 4.228 -12.370 -9.506 1.00 0.00 C ATOM 1070 CG ASP A 67 4.691 -13.806 -9.722 1.00 0.00 C ATOM 1071 OD1 ASP A 67 3.897 -14.697 -9.544 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.839 -14.006 -10.034 1.00 0.00 O ATOM 0 H ASP A 67 2.790 -11.935 -11.640 1.00 0.00 H new ATOM 0 HA ASP A 67 2.255 -13.012 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.684 -11.729 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.582 -12.021 -8.536 1.00 0.00 H new ATOM 1077 N SER A 68 2.206 -10.828 -7.644 1.00 0.00 N ATOM 1078 CA SER A 68 1.821 -9.612 -6.936 1.00 0.00 C ATOM 1079 C SER A 68 2.951 -8.591 -6.910 1.00 0.00 C ATOM 1080 O SER A 68 4.115 -8.973 -7.037 1.00 0.00 O ATOM 1081 CB SER A 68 1.469 -9.916 -5.488 1.00 0.00 C ATOM 1082 OG SER A 68 2.585 -10.299 -4.732 1.00 0.00 O ATOM 0 H SER A 68 2.407 -11.621 -7.034 1.00 0.00 H new ATOM 0 HA SER A 68 0.962 -9.209 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.013 -9.035 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.724 -10.711 -5.458 1.00 0.00 H new ATOM 0 HG SER A 68 2.402 -10.152 -3.781 1.00 0.00 H new ATOM 1088 N PRO A 69 2.652 -7.299 -6.746 1.00 0.00 N ATOM 1089 CA PRO A 69 3.644 -6.263 -6.592 1.00 0.00 C ATOM 1090 C PRO A 69 4.190 -6.222 -5.168 1.00 0.00 C ATOM 1091 O PRO A 69 3.488 -6.599 -4.228 1.00 0.00 O ATOM 1092 CB PRO A 69 2.834 -5.023 -6.976 1.00 0.00 C ATOM 1093 CG PRO A 69 1.417 -5.362 -6.606 1.00 0.00 C ATOM 1094 CD PRO A 69 1.264 -6.844 -6.903 1.00 0.00 C ATOM 0 HA PRO A 69 4.544 -6.388 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.183 -4.141 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.924 -4.805 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.225 -5.151 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.708 -4.770 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.586 -7.337 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.880 -7.027 -7.906 1.00 0.00 H new ATOM 1102 N GLN A 70 5.428 -5.768 -4.994 1.00 0.00 N ATOM 1103 CA GLN A 70 5.950 -5.683 -3.632 1.00 0.00 C ATOM 1104 C GLN A 70 5.475 -4.391 -3.015 1.00 0.00 C ATOM 1105 O GLN A 70 5.760 -3.306 -3.520 1.00 0.00 O ATOM 1106 CB GLN A 70 7.470 -5.740 -3.523 1.00 0.00 C ATOM 1107 CG GLN A 70 7.918 -5.584 -2.075 1.00 0.00 C ATOM 1108 CD GLN A 70 7.514 -6.759 -1.197 1.00 0.00 C ATOM 1109 OE1 GLN A 70 7.952 -7.884 -1.457 1.00 0.00 O ATOM 1110 NE2 GLN A 70 6.688 -6.534 -0.175 1.00 0.00 N ATOM 0 H GLN A 70 6.061 -5.467 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 70 5.575 -6.563 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.832 -6.689 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.912 -4.951 -4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.002 -5.472 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.492 -4.668 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.348 -5.590 0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.396 -7.306 0.425 1.00 0.00 H new ATOM 1119 N VAL A 71 4.746 -4.495 -1.916 1.00 0.00 N ATOM 1120 CA VAL A 71 4.231 -3.282 -1.318 1.00 0.00 C ATOM 1121 C VAL A 71 4.928 -3.003 0.007 1.00 0.00 C ATOM 1122 O VAL A 71 5.189 -3.926 0.782 1.00 0.00 O ATOM 1123 CB VAL A 71 2.714 -3.374 -1.162 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.178 -2.092 -0.548 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.132 -3.662 -2.533 1.00 0.00 C ATOM 0 H VAL A 71 4.507 -5.365 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 71 4.442 -2.439 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 71 2.425 -4.178 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.096 -2.165 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.631 -1.941 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.422 -1.249 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.047 -3.735 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.396 -2.856 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.534 -4.603 -2.909 1.00 0.00 H new ATOM 1135 N MET A 72 5.323 -1.744 0.212 1.00 0.00 N ATOM 1136 CA MET A 72 6.012 -1.384 1.451 1.00 0.00 C ATOM 1137 C MET A 72 6.028 0.093 1.833 1.00 0.00 C ATOM 1138 O MET A 72 5.812 0.976 1.011 1.00 0.00 O ATOM 1139 CB MET A 72 7.467 -1.821 1.337 1.00 0.00 C ATOM 1140 CG MET A 72 8.213 -1.084 0.234 1.00 0.00 C ATOM 1141 SD MET A 72 9.940 -1.574 0.087 1.00 0.00 S ATOM 1142 CE MET A 72 10.601 -0.777 1.548 1.00 0.00 C ATOM 0 H MET A 72 5.182 -0.976 -0.445 1.00 0.00 H new ATOM 0 HA MET A 72 5.439 -1.888 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.970 -1.649 2.289 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.507 -2.893 1.144 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.710 -1.263 -0.716 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.162 -0.012 0.425 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.689 -0.744 1.484 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.211 0.238 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.307 -1.339 2.434 1.00 0.00 H new ATOM 1152 N PHE A 73 6.318 0.369 3.099 1.00 0.00 N ATOM 1153 CA PHE A 73 6.472 1.744 3.572 1.00 0.00 C ATOM 1154 C PHE A 73 7.892 2.224 3.325 1.00 0.00 C ATOM 1155 O PHE A 73 8.846 1.454 3.432 1.00 0.00 O ATOM 1156 CB PHE A 73 6.139 1.943 5.052 1.00 0.00 C ATOM 1157 CG PHE A 73 4.689 1.952 5.435 1.00 0.00 C ATOM 1158 CD1 PHE A 73 3.982 3.148 5.419 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.030 0.801 5.823 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.649 3.189 5.777 1.00 0.00 C ATOM 1161 CE2 PHE A 73 2.694 0.845 6.179 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.002 2.035 6.159 1.00 0.00 C ATOM 0 H PHE A 73 6.452 -0.341 3.819 1.00 0.00 H new ATOM 0 HA PHE A 73 5.749 2.328 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.633 1.153 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.579 2.887 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.482 4.058 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.561 -0.139 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.114 4.127 5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.189 -0.063 6.475 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.960 2.063 6.441 1.00 0.00 H new ATOM 1172 N THR A 74 8.028 3.501 2.990 1.00 0.00 N ATOM 1173 CA THR A 74 9.341 4.074 2.724 1.00 0.00 C ATOM 1174 C THR A 74 9.435 5.533 3.141 1.00 0.00 C ATOM 1175 O THR A 74 8.433 6.245 3.199 1.00 0.00 O ATOM 1176 CB THR A 74 9.670 3.989 1.225 1.00 0.00 C ATOM 1177 OG1 THR A 74 11.025 4.392 0.978 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.742 4.935 0.483 1.00 0.00 C ATOM 0 H THR A 74 7.251 4.155 2.897 1.00 0.00 H new ATOM 0 HA THR A 74 10.051 3.493 3.313 1.00 0.00 H new ATOM 0 HB THR A 74 9.542 2.960 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.215 4.329 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.957 4.892 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.707 4.640 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.895 5.952 0.843 1.00 0.00 H new ATOM 1186 N GLY A 75 10.655 5.969 3.435 1.00 0.00 N ATOM 1187 CA GLY A 75 10.895 7.352 3.817 1.00 0.00 C ATOM 1188 C GLY A 75 11.517 7.461 5.197 1.00 0.00 C ATOM 1189 O GLY A 75 11.903 6.461 5.803 1.00 0.00 O ATOM 0 H GLY A 75 11.491 5.384 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.552 7.821 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.954 7.902 3.799 1.00 0.00 H new ATOM 1193 N GLU A 76 11.607 8.697 5.684 1.00 0.00 N ATOM 1194 CA GLU A 76 12.174 9.015 6.992 1.00 0.00 C ATOM 1195 C GLU A 76 11.328 8.565 8.184 1.00 0.00 C ATOM 1196 O GLU A 76 11.804 8.600 9.320 1.00 0.00 O ATOM 1197 CB GLU A 76 12.400 10.526 7.097 1.00 0.00 C ATOM 1198 CG GLU A 76 11.125 11.361 7.131 1.00 0.00 C ATOM 1199 CD GLU A 76 10.588 11.676 5.761 1.00 0.00 C ATOM 1200 OE1 GLU A 76 10.957 11.004 4.828 1.00 0.00 O ATOM 1201 OE2 GLU A 76 9.803 12.589 5.648 1.00 0.00 O ATOM 0 H GLU A 76 11.283 9.518 5.173 1.00 0.00 H new ATOM 0 HA GLU A 76 13.108 8.456 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.977 10.731 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.007 10.848 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.363 10.827 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.322 12.293 7.660 1.00 0.00 H new ATOM 1208 N ASN A 77 10.086 8.152 7.944 1.00 0.00 N ATOM 1209 CA ASN A 77 9.232 7.712 9.030 1.00 0.00 C ATOM 1210 C ASN A 77 8.348 6.525 8.681 1.00 0.00 C ATOM 1211 O ASN A 77 7.195 6.691 8.280 1.00 0.00 O ATOM 1212 CB ASN A 77 8.367 8.862 9.502 1.00 0.00 C ATOM 1213 CG ASN A 77 7.543 8.497 10.706 1.00 0.00 C ATOM 1214 OD1 ASN A 77 7.773 7.468 11.353 1.00 0.00 O ATOM 1215 ND2 ASN A 77 6.577 9.325 11.010 1.00 0.00 N ATOM 0 H ASN A 77 9.658 8.115 7.019 1.00 0.00 H new ATOM 0 HA ASN A 77 9.901 7.377 9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.000 9.716 9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.706 9.173 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.975 9.134 11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.426 10.161 10.446 1.00 0.00 H new ATOM 1222 N ILE A 78 8.903 5.329 8.824 1.00 0.00 N ATOM 1223 CA ILE A 78 8.128 4.111 8.651 1.00 0.00 C ATOM 1224 C ILE A 78 7.465 3.922 10.016 1.00 0.00 C ATOM 1225 O ILE A 78 8.179 3.854 11.018 1.00 0.00 O ATOM 1226 CB ILE A 78 9.017 2.941 8.194 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.586 3.311 6.816 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.267 1.622 8.188 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.667 2.387 6.312 1.00 0.00 C ATOM 0 H ILE A 78 9.884 5.178 9.059 1.00 0.00 H new ATOM 0 HA ILE A 78 7.379 4.162 7.861 1.00 0.00 H new ATOM 0 HB ILE A 78 9.835 2.787 8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.771 3.323 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.985 4.324 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.934 0.825 7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.909 1.403 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.418 1.689 7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.008 2.726 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.504 2.392 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.271 1.375 6.228 1.00 0.00 H new ATOM 1241 N PRO A 79 6.135 3.832 10.100 1.00 0.00 N ATOM 1242 CA PRO A 79 5.420 3.802 11.357 1.00 0.00 C ATOM 1243 C PRO A 79 5.504 2.581 12.249 1.00 0.00 C ATOM 1244 O PRO A 79 5.717 1.454 11.804 1.00 0.00 O ATOM 1245 CB PRO A 79 3.980 3.951 10.851 1.00 0.00 C ATOM 1246 CG PRO A 79 3.982 3.391 9.453 1.00 0.00 C ATOM 1247 CD PRO A 79 5.332 3.741 8.874 1.00 0.00 C ATOM 0 HA PRO A 79 5.845 4.553 12.023 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.282 3.409 11.489 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.669 4.996 10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.828 2.312 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.177 3.822 8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.702 2.975 8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.314 4.679 8.320 1.00 0.00 H new ATOM 1255 N VAL A 80 5.320 2.853 13.538 1.00 0.00 N ATOM 1256 CA VAL A 80 5.252 1.821 14.555 1.00 0.00 C ATOM 1257 C VAL A 80 3.822 1.327 14.498 1.00 0.00 C ATOM 1258 O VAL A 80 2.887 2.116 14.654 1.00 0.00 O ATOM 1259 CB VAL A 80 5.614 2.344 15.955 1.00 0.00 C ATOM 1260 CG1 VAL A 80 5.443 1.229 16.977 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.049 2.847 15.949 1.00 0.00 C ATOM 0 H VAL A 80 5.214 3.800 13.902 1.00 0.00 H new ATOM 0 HA VAL A 80 5.976 1.028 14.367 1.00 0.00 H new ATOM 0 HB VAL A 80 4.953 3.167 16.225 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.700 1.602 17.969 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.407 0.889 16.974 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.099 0.397 16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.308 3.218 16.940 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.720 2.031 15.680 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.149 3.653 15.222 1.00 0.00 H new ATOM 1271 N HIS A 81 3.673 0.033 14.270 1.00 0.00 N ATOM 1272 CA HIS A 81 2.375 -0.594 14.095 1.00 0.00 C ATOM 1273 C HIS A 81 2.512 -2.108 14.223 1.00 0.00 C ATOM 1274 O HIS A 81 3.531 -2.642 13.791 1.00 0.00 O ATOM 1275 CB HIS A 81 1.829 -0.216 12.713 1.00 0.00 C ATOM 1276 CG HIS A 81 0.442 -0.668 12.399 1.00 0.00 C ATOM 1277 ND1 HIS A 81 0.161 -1.955 11.983 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -0.742 -0.015 12.441 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -1.138 -2.070 11.779 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -1.705 -0.911 12.053 1.00 0.00 N ATOM 0 H HIS A 81 4.456 -0.617 14.201 1.00 0.00 H new ATOM 0 HA HIS A 81 1.683 -0.248 14.863 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.864 0.869 12.617 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.500 -0.624 11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.899 1.015 12.726 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.649 -2.961 11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.703 -0.712 11.987 1.00 0.00 H new ATOM 1288 N PRO A 82 1.540 -2.842 14.779 1.00 0.00 N ATOM 1289 CA PRO A 82 1.588 -4.290 14.882 1.00 0.00 C ATOM 1290 C PRO A 82 1.935 -5.036 13.591 1.00 0.00 C ATOM 1291 O PRO A 82 2.497 -6.129 13.654 1.00 0.00 O ATOM 1292 CB PRO A 82 0.156 -4.577 15.352 1.00 0.00 C ATOM 1293 CG PRO A 82 -0.224 -3.359 16.150 1.00 0.00 C ATOM 1294 CD PRO A 82 0.415 -2.184 15.460 1.00 0.00 C ATOM 0 HA PRO A 82 2.386 -4.638 15.538 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.517 -4.726 14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.110 -5.481 15.959 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.307 -3.244 16.191 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.127 -3.443 17.179 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.264 -1.697 14.760 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.747 -1.422 16.165 1.00 0.00 H new ATOM 1302 N HIS A 83 1.602 -4.469 12.432 1.00 0.00 N ATOM 1303 CA HIS A 83 1.912 -5.103 11.166 1.00 0.00 C ATOM 1304 C HIS A 83 2.874 -4.296 10.295 1.00 0.00 C ATOM 1305 O HIS A 83 2.978 -4.545 9.095 1.00 0.00 O ATOM 1306 CB HIS A 83 0.607 -5.346 10.422 1.00 0.00 C ATOM 1307 CG HIS A 83 -0.275 -6.289 11.172 1.00 0.00 C ATOM 1308 ND1 HIS A 83 -0.028 -7.642 11.241 1.00 0.00 N ATOM 1309 CD2 HIS A 83 -1.391 -6.075 11.903 1.00 0.00 C ATOM 1310 CE1 HIS A 83 -0.962 -8.221 11.975 1.00 0.00 C ATOM 1311 NE2 HIS A 83 -1.801 -7.291 12.390 1.00 0.00 N ATOM 0 H HIS A 83 1.119 -3.574 12.351 1.00 0.00 H new ATOM 0 HA HIS A 83 2.426 -6.040 11.382 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.088 -4.399 10.274 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.819 -5.752 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.872 -5.123 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.027 -9.276 12.197 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.620 -7.450 12.977 1.00 0.00 H new ATOM 1319 N VAL A 84 3.594 -3.329 10.866 1.00 0.00 N ATOM 1320 CA VAL A 84 4.557 -2.590 10.051 1.00 0.00 C ATOM 1321 C VAL A 84 5.936 -2.733 10.668 1.00 0.00 C ATOM 1322 O VAL A 84 6.155 -2.426 11.841 1.00 0.00 O ATOM 1323 CB VAL A 84 4.216 -1.094 9.896 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.293 -0.414 9.059 1.00 0.00 C ATOM 1325 CG2 VAL A 84 2.856 -0.946 9.230 1.00 0.00 C ATOM 0 H VAL A 84 3.535 -3.048 11.845 1.00 0.00 H new ATOM 0 HA VAL A 84 4.523 -3.019 9.050 1.00 0.00 H new ATOM 0 HB VAL A 84 4.178 -0.622 10.878 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.054 0.644 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.258 -0.518 9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.338 -0.881 8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.617 0.112 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.879 -1.415 8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.096 -1.428 9.844 1.00 0.00 H new ATOM 1335 N TYR A 85 6.872 -3.193 9.855 1.00 0.00 N ATOM 1336 CA TYR A 85 8.236 -3.405 10.295 1.00 0.00 C ATOM 1337 C TYR A 85 9.059 -2.200 9.893 1.00 0.00 C ATOM 1338 O TYR A 85 8.703 -1.506 8.943 1.00 0.00 O ATOM 1339 CB TYR A 85 8.773 -4.691 9.687 1.00 0.00 C ATOM 1340 CG TYR A 85 8.018 -5.903 10.194 1.00 0.00 C ATOM 1341 CD1 TYR A 85 6.881 -6.334 9.529 1.00 0.00 C ATOM 1342 CD2 TYR A 85 8.450 -6.586 11.322 1.00 0.00 C ATOM 1343 CE1 TYR A 85 6.178 -7.430 9.975 1.00 0.00 C ATOM 1344 CE2 TYR A 85 7.748 -7.689 11.772 1.00 0.00 C ATOM 1345 CZ TYR A 85 6.616 -8.110 11.103 1.00 0.00 C ATOM 1346 OH TYR A 85 5.919 -9.207 11.553 1.00 0.00 O ATOM 0 H TYR A 85 6.707 -3.428 8.876 1.00 0.00 H new ATOM 0 HA TYR A 85 8.286 -3.513 11.378 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.696 -4.641 8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 85 9.831 -4.794 9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.543 -5.804 8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.334 -6.256 11.848 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.292 -7.758 9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.086 -8.222 12.648 1.00 0.00 H new ATOM 0 HH TYR A 85 6.358 -9.568 12.351 1.00 0.00 H new ATOM 1356 N SER A 86 10.162 -1.965 10.604 1.00 0.00 N ATOM 1357 CA SER A 86 11.019 -0.798 10.390 1.00 0.00 C ATOM 1358 C SER A 86 11.691 -0.740 9.023 1.00 0.00 C ATOM 1359 O SER A 86 12.184 0.315 8.623 1.00 0.00 O ATOM 1360 CB SER A 86 12.096 -0.764 11.455 1.00 0.00 C ATOM 1361 OG SER A 86 12.984 -1.838 11.301 1.00 0.00 O ATOM 0 H SER A 86 10.488 -2.582 11.348 1.00 0.00 H new ATOM 0 HA SER A 86 10.356 0.065 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.643 0.177 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.638 -0.804 12.443 1.00 0.00 H new ATOM 0 HG SER A 86 13.672 -1.796 11.998 1.00 0.00 H new ATOM 1367 N ASN A 87 11.731 -1.863 8.310 1.00 0.00 N ATOM 1368 CA ASN A 87 12.271 -1.887 6.963 1.00 0.00 C ATOM 1369 C ASN A 87 11.186 -1.675 5.906 1.00 0.00 C ATOM 1370 O ASN A 87 11.453 -1.833 4.715 1.00 0.00 O ATOM 1371 CB ASN A 87 12.975 -3.202 6.712 1.00 0.00 C ATOM 1372 CG ASN A 87 12.027 -4.370 6.712 1.00 0.00 C ATOM 1373 OD1 ASN A 87 10.813 -4.234 6.912 1.00 0.00 O ATOM 1374 ND2 ASN A 87 12.573 -5.537 6.480 1.00 0.00 N ATOM 0 H ASN A 87 11.395 -2.765 8.647 1.00 0.00 H new ATOM 0 HA ASN A 87 12.981 -1.064 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.492 -3.157 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.736 -3.355 7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.993 -6.376 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.578 -5.607 6.320 1.00 0.00 H new ATOM 1381 N GLY A 88 9.968 -1.330 6.329 1.00 0.00 N ATOM 1382 CA GLY A 88 8.870 -1.069 5.416 1.00 0.00 C ATOM 1383 C GLY A 88 7.921 -2.244 5.204 1.00 0.00 C ATOM 1384 O GLY A 88 6.873 -2.065 4.583 1.00 0.00 O ATOM 0 H GLY A 88 9.723 -1.226 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.297 -0.221 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.281 -0.773 4.451 1.00 0.00 H new ATOM 1388 N HIS A 89 8.250 -3.434 5.706 1.00 0.00 N ATOM 1389 CA HIS A 89 7.374 -4.582 5.475 1.00 0.00 C ATOM 1390 C HIS A 89 5.990 -4.421 6.096 1.00 0.00 C ATOM 1391 O HIS A 89 5.822 -3.983 7.234 1.00 0.00 O ATOM 1392 CB HIS A 89 8.033 -5.868 5.991 1.00 0.00 C ATOM 1393 CG HIS A 89 7.282 -7.126 5.683 1.00 0.00 C ATOM 1394 ND1 HIS A 89 6.159 -7.512 6.383 1.00 0.00 N ATOM 1395 CD2 HIS A 89 7.493 -8.086 4.753 1.00 0.00 C ATOM 1396 CE1 HIS A 89 5.710 -8.655 5.896 1.00 0.00 C ATOM 1397 NE2 HIS A 89 6.502 -9.025 4.907 1.00 0.00 N ATOM 0 H HIS A 89 9.087 -3.626 6.257 1.00 0.00 H new ATOM 0 HA HIS A 89 7.229 -4.645 4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.033 -5.944 5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.154 -5.789 7.071 1.00 0.00 H new ATOM 0 HD1 HIS A 89 5.740 -6.996 7.156 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.291 -8.110 4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.843 -9.195 6.247 1.00 0.00 H new ATOM 1405 N ILE A 90 4.981 -4.782 5.307 1.00 0.00 N ATOM 1406 CA ILE A 90 3.582 -4.708 5.711 1.00 0.00 C ATOM 1407 C ILE A 90 2.993 -6.103 5.842 1.00 0.00 C ATOM 1408 O ILE A 90 2.876 -6.833 4.855 1.00 0.00 O ATOM 1409 CB ILE A 90 2.753 -3.910 4.685 1.00 0.00 C ATOM 1410 CG1 ILE A 90 3.313 -2.495 4.564 1.00 0.00 C ATOM 1411 CG2 ILE A 90 1.286 -3.879 5.101 1.00 0.00 C ATOM 1412 CD1 ILE A 90 2.719 -1.707 3.426 1.00 0.00 C ATOM 0 H ILE A 90 5.114 -5.137 4.360 1.00 0.00 H new ATOM 0 HA ILE A 90 3.543 -4.200 6.675 1.00 0.00 H new ATOM 0 HB ILE A 90 2.818 -4.397 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.134 -1.961 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.393 -2.551 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.712 -3.312 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.901 -4.897 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.195 -3.405 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.164 -0.712 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.921 -2.218 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.642 -1.619 3.567 1.00 0.00 H new ATOM 1424 N CYS A 91 2.572 -6.483 7.043 1.00 0.00 N ATOM 1425 CA CYS A 91 2.043 -7.829 7.198 1.00 0.00 C ATOM 1426 C CYS A 91 0.559 -7.864 6.874 1.00 0.00 C ATOM 1427 O CYS A 91 -0.312 -7.755 7.736 1.00 0.00 O ATOM 1428 CB CYS A 91 2.291 -8.346 8.610 1.00 0.00 C ATOM 1429 SG CYS A 91 1.713 -10.036 8.888 1.00 0.00 S ATOM 0 H CYS A 91 2.584 -5.909 7.886 1.00 0.00 H new ATOM 0 HA CYS A 91 2.564 -8.480 6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.360 -8.300 8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.797 -7.683 9.320 1.00 0.00 H new ATOM 0 HG CYS A 91 1.969 -10.386 10.113 1.00 0.00 H new ATOM 1435 N LEU A 92 0.330 -8.030 5.578 1.00 0.00 N ATOM 1436 CA LEU A 92 -0.971 -8.126 4.935 1.00 0.00 C ATOM 1437 C LEU A 92 -0.976 -9.268 3.931 1.00 0.00 C ATOM 1438 O LEU A 92 -0.222 -9.243 2.956 1.00 0.00 O ATOM 1439 CB LEU A 92 -1.290 -6.784 4.276 1.00 0.00 C ATOM 1440 CG LEU A 92 -2.562 -6.708 3.437 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -3.789 -6.981 4.297 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -2.649 -5.317 2.816 1.00 0.00 C ATOM 0 H LEU A 92 1.095 -8.106 4.908 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.745 -8.345 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.356 -6.029 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.448 -6.511 3.640 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.530 -7.464 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.686 -6.922 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.713 -7.977 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.847 -6.239 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.553 -5.244 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.679 -4.567 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.777 -5.145 2.186 1.00 0.00 H new ATOM 1454 N SER A 93 -1.847 -10.253 4.156 1.00 0.00 N ATOM 1455 CA SER A 93 -1.859 -11.447 3.318 1.00 0.00 C ATOM 1456 C SER A 93 -2.201 -11.227 1.864 1.00 0.00 C ATOM 1457 O SER A 93 -1.690 -11.960 1.020 1.00 0.00 O ATOM 1458 CB SER A 93 -2.876 -12.455 3.789 1.00 0.00 C ATOM 1459 OG SER A 93 -4.170 -11.960 3.576 1.00 0.00 O ATOM 0 H SER A 93 -2.543 -10.247 4.901 1.00 0.00 H new ATOM 0 HA SER A 93 -0.828 -11.788 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.744 -13.395 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.728 -12.667 4.848 1.00 0.00 H new ATOM 0 HG SER A 93 -4.756 -12.690 3.286 1.00 0.00 H new ATOM 1465 N ILE A 94 -2.981 -10.188 1.545 1.00 0.00 N ATOM 1466 CA ILE A 94 -3.344 -9.948 0.152 1.00 0.00 C ATOM 1467 C ILE A 94 -2.206 -9.344 -0.641 1.00 0.00 C ATOM 1468 O ILE A 94 -2.406 -8.998 -1.801 1.00 0.00 O ATOM 1469 CB ILE A 94 -4.560 -9.021 -0.050 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -4.261 -7.609 0.434 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -5.752 -9.584 0.705 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -5.304 -6.592 0.035 1.00 0.00 C ATOM 0 H ILE A 94 -3.362 -9.519 2.214 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.598 -10.946 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.785 -8.971 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.174 -7.619 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.294 -7.297 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.613 -8.931 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.985 -10.579 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.514 -9.646 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.020 -5.611 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.376 -6.552 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.269 -6.878 0.452 1.00 0.00 H new ATOM 1484 N LEU A 95 -1.037 -9.145 -0.039 1.00 0.00 N ATOM 1485 CA LEU A 95 0.090 -8.669 -0.802 1.00 0.00 C ATOM 1486 C LEU A 95 0.820 -9.876 -1.399 1.00 0.00 C ATOM 1487 O LEU A 95 1.581 -9.720 -2.358 1.00 0.00 O ATOM 1488 CB LEU A 95 1.027 -7.863 0.101 1.00 0.00 C ATOM 1489 CG LEU A 95 0.389 -6.628 0.749 1.00 0.00 C ATOM 1490 CD1 LEU A 95 1.415 -5.941 1.642 1.00 0.00 C ATOM 1491 CD2 LEU A 95 -0.148 -5.721 -0.333 1.00 0.00 C ATOM 0 H LEU A 95 -0.856 -9.304 0.952 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.249 -8.016 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.401 -8.517 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.889 -7.544 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.452 -6.910 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.965 -5.063 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.742 -6.632 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.273 -5.636 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.603 -4.841 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.668 -5.411 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.897 -6.255 -0.917 1.00 0.00 H new ATOM 1503 N THR A 96 0.585 -11.070 -0.832 1.00 0.00 N ATOM 1504 CA THR A 96 1.235 -12.296 -1.279 1.00 0.00 C ATOM 1505 C THR A 96 0.231 -13.433 -1.483 1.00 0.00 C ATOM 1506 O THR A 96 -0.355 -13.580 -2.553 1.00 0.00 O ATOM 1507 CB THR A 96 2.312 -12.773 -0.275 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.712 -12.950 1.015 1.00 0.00 O ATOM 1509 CG2 THR A 96 3.452 -11.774 -0.160 1.00 0.00 C ATOM 0 H THR A 96 -0.060 -11.205 -0.054 1.00 0.00 H new ATOM 0 HA THR A 96 1.705 -12.052 -2.232 1.00 0.00 H new ATOM 0 HB THR A 96 2.720 -13.715 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.977 -13.819 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.189 -12.143 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.923 -11.646 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.063 -10.816 0.183 1.00 0.00 H new ATOM 1517 N GLU A 97 -0.011 -14.198 -0.415 1.00 0.00 N ATOM 1518 CA GLU A 97 -0.840 -15.404 -0.445 1.00 0.00 C ATOM 1519 C GLU A 97 -2.296 -15.227 -0.852 1.00 0.00 C ATOM 1520 O GLU A 97 -2.851 -16.097 -1.524 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.814 -16.058 0.937 1.00 0.00 C ATOM 1522 CG GLU A 97 0.525 -16.678 1.310 1.00 0.00 C ATOM 1523 CD GLU A 97 0.536 -17.280 2.688 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -0.416 -17.094 3.409 1.00 0.00 O ATOM 1525 OE2 GLU A 97 1.497 -17.934 3.019 1.00 0.00 O ATOM 0 H GLU A 97 0.370 -13.993 0.509 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.394 -16.016 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.076 -15.310 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.582 -16.830 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.776 -17.449 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.301 -15.915 1.248 1.00 0.00 H new ATOM 1532 N ASP A 98 -2.916 -14.124 -0.457 1.00 0.00 N ATOM 1533 CA ASP A 98 -4.298 -13.872 -0.827 1.00 0.00 C ATOM 1534 C ASP A 98 -4.390 -12.896 -2.001 1.00 0.00 C ATOM 1535 O ASP A 98 -5.489 -12.449 -2.337 1.00 0.00 O ATOM 1536 CB ASP A 98 -5.098 -13.368 0.384 1.00 0.00 C ATOM 1537 CG ASP A 98 -5.275 -14.427 1.473 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -5.354 -15.581 1.124 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -5.334 -14.089 2.635 1.00 0.00 O ATOM 0 H ASP A 98 -2.487 -13.396 0.115 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.738 -14.814 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.593 -12.500 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.080 -13.033 0.049 1.00 0.00 H new ATOM 1544 N TRP A 99 -3.255 -12.547 -2.618 1.00 0.00 N ATOM 1545 CA TRP A 99 -3.286 -11.615 -3.732 1.00 0.00 C ATOM 1546 C TRP A 99 -3.890 -12.287 -4.945 1.00 0.00 C ATOM 1547 O TRP A 99 -3.675 -13.472 -5.203 1.00 0.00 O ATOM 1548 CB TRP A 99 -1.908 -11.075 -4.113 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.993 -10.009 -5.179 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -2.258 -8.687 -4.968 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.811 -10.147 -6.612 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -2.258 -8.004 -6.153 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.987 -8.876 -7.168 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -1.515 -11.226 -7.455 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.882 -8.647 -8.522 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -1.407 -10.991 -8.818 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.588 -9.734 -9.331 1.00 0.00 C ATOM 0 H TRP A 99 -2.328 -12.891 -2.367 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.890 -10.769 -3.404 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.422 -10.665 -3.228 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.283 -11.894 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.442 -8.243 -4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.432 -7.005 -6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -1.374 -12.218 -7.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -2.023 -7.660 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.177 -11.810 -9.483 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.499 -9.585 -10.397 1.00 0.00 H new ATOM 1568 N SER A 100 -4.640 -11.502 -5.692 1.00 0.00 N ATOM 1569 CA SER A 100 -5.291 -11.940 -6.903 1.00 0.00 C ATOM 1570 C SER A 100 -5.286 -10.786 -7.882 1.00 0.00 C ATOM 1571 O SER A 100 -5.433 -9.643 -7.458 1.00 0.00 O ATOM 1572 CB SER A 100 -6.719 -12.377 -6.617 1.00 0.00 C ATOM 1573 OG SER A 100 -7.409 -12.703 -7.795 1.00 0.00 O ATOM 0 H SER A 100 -4.815 -10.523 -5.467 1.00 0.00 H new ATOM 0 HA SER A 100 -4.759 -12.795 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.709 -13.240 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.246 -11.578 -6.096 1.00 0.00 H new ATOM 0 HG SER A 100 -8.322 -12.981 -7.573 1.00 0.00 H new ATOM 1579 N PRO A 101 -5.138 -11.037 -9.188 1.00 0.00 N ATOM 1580 CA PRO A 101 -5.166 -10.026 -10.224 1.00 0.00 C ATOM 1581 C PRO A 101 -6.547 -9.397 -10.375 1.00 0.00 C ATOM 1582 O PRO A 101 -6.697 -8.375 -11.045 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.735 -10.842 -11.447 1.00 0.00 C ATOM 1584 CG PRO A 101 -5.088 -12.264 -11.118 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.846 -12.405 -9.632 1.00 0.00 C ATOM 0 HA PRO A 101 -4.528 -9.163 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.252 -10.506 -12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.667 -10.735 -11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.127 -12.479 -11.369 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.472 -12.963 -11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.505 -13.141 -9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.824 -12.706 -9.404 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.560 -10.017 -9.762 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.907 -9.483 -9.713 1.00 0.00 C ATOM 1595 C ALA A 102 -8.994 -8.353 -8.679 1.00 0.00 C ATOM 1596 O ALA A 102 -9.973 -7.605 -8.669 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.895 -10.586 -9.377 1.00 0.00 C ATOM 0 H ALA A 102 -7.458 -10.912 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.159 -9.076 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.903 -10.173 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.846 -11.363 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.645 -11.015 -8.406 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.989 -8.228 -7.805 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.969 -7.171 -6.809 1.00 0.00 C ATOM 1605 C LEU A 103 -7.372 -5.922 -7.426 1.00 0.00 C ATOM 1606 O LEU A 103 -6.469 -5.998 -8.260 1.00 0.00 O ATOM 1607 CB LEU A 103 -7.115 -7.551 -5.587 1.00 0.00 C ATOM 1608 CG LEU A 103 -7.535 -8.781 -4.776 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -6.503 -9.025 -3.675 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -8.922 -8.554 -4.197 1.00 0.00 C ATOM 0 H LEU A 103 -7.182 -8.851 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.995 -7.006 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.092 -7.709 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.097 -6.695 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.576 -9.664 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.793 -9.899 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.525 -9.197 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.454 -8.153 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.223 -9.428 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.907 -7.678 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.633 -8.393 -5.008 1.00 0.00 H new ATOM 1622 N SER A 104 -7.886 -4.776 -7.010 1.00 0.00 N ATOM 1623 CA SER A 104 -7.384 -3.488 -7.458 1.00 0.00 C ATOM 1624 C SER A 104 -6.349 -2.955 -6.501 1.00 0.00 C ATOM 1625 O SER A 104 -6.389 -3.266 -5.309 1.00 0.00 O ATOM 1626 CB SER A 104 -8.476 -2.449 -7.591 1.00 0.00 C ATOM 1627 OG SER A 104 -7.903 -1.201 -7.890 1.00 0.00 O ATOM 0 H SER A 104 -8.663 -4.713 -6.352 1.00 0.00 H new ATOM 0 HA SER A 104 -6.947 -3.665 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.174 -2.738 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.047 -2.386 -6.665 1.00 0.00 H new ATOM 0 HG SER A 104 -7.434 -1.254 -8.749 1.00 0.00 H new ATOM 1633 N VAL A 105 -5.442 -2.145 -7.031 1.00 0.00 N ATOM 1634 CA VAL A 105 -4.414 -1.508 -6.228 1.00 0.00 C ATOM 1635 C VAL A 105 -5.125 -0.562 -5.269 1.00 0.00 C ATOM 1636 O VAL A 105 -4.636 -0.377 -4.157 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.358 -0.778 -7.080 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.431 0.029 -6.177 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -2.535 -1.795 -7.859 1.00 0.00 C ATOM 0 H VAL A 105 -5.400 -1.914 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.851 -2.263 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.865 -0.107 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.687 0.543 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.014 0.763 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.929 -0.641 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.789 -1.275 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.035 -2.468 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.191 -2.370 -8.512 1.00 0.00 H new ATOM 1649 N GLN A 106 -6.253 0.032 -5.691 1.00 0.00 N ATOM 1650 CA GLN A 106 -7.043 0.924 -4.846 1.00 0.00 C ATOM 1651 C GLN A 106 -7.419 0.180 -3.576 1.00 0.00 C ATOM 1652 O GLN A 106 -7.228 0.704 -2.481 1.00 0.00 O ATOM 1653 CB GLN A 106 -8.326 1.396 -5.545 1.00 0.00 C ATOM 1654 CG GLN A 106 -9.149 2.388 -4.736 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.427 2.815 -5.434 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -11.003 2.047 -6.210 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.877 4.036 -5.167 1.00 0.00 N ATOM 0 H GLN A 106 -6.637 -0.096 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.440 1.805 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.060 1.854 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.944 0.527 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.400 1.942 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.543 3.270 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.368 4.637 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.732 4.373 -5.610 1.00 0.00 H new ATOM 1666 N SER A 107 -7.960 -1.029 -3.753 1.00 0.00 N ATOM 1667 CA SER A 107 -8.375 -1.924 -2.679 1.00 0.00 C ATOM 1668 C SER A 107 -7.208 -2.292 -1.774 1.00 0.00 C ATOM 1669 O SER A 107 -7.384 -2.337 -0.554 1.00 0.00 O ATOM 1670 CB SER A 107 -9.009 -3.177 -3.252 1.00 0.00 C ATOM 1671 OG SER A 107 -9.412 -4.046 -2.229 1.00 0.00 O ATOM 0 H SER A 107 -8.125 -1.421 -4.680 1.00 0.00 H new ATOM 0 HA SER A 107 -9.112 -1.395 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.869 -2.907 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.298 -3.683 -3.905 1.00 0.00 H new ATOM 0 HG SER A 107 -9.819 -4.846 -2.621 1.00 0.00 H new ATOM 1677 N VAL A 108 -6.049 -2.595 -2.365 1.00 0.00 N ATOM 1678 CA VAL A 108 -4.846 -2.902 -1.593 1.00 0.00 C ATOM 1679 C VAL A 108 -4.457 -1.734 -0.698 1.00 0.00 C ATOM 1680 O VAL A 108 -4.143 -1.932 0.480 1.00 0.00 O ATOM 1681 CB VAL A 108 -3.663 -3.240 -2.516 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -2.396 -3.327 -1.685 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -3.925 -4.560 -3.226 1.00 0.00 C ATOM 0 H VAL A 108 -5.920 -2.634 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.077 -3.769 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.545 -2.461 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.552 -3.566 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.217 -2.371 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.508 -4.107 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.084 -4.795 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.044 -5.353 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.835 -4.479 -3.821 1.00 0.00 H new ATOM 1693 N CYS A 109 -4.475 -0.531 -1.267 1.00 0.00 N ATOM 1694 CA CYS A 109 -4.180 0.680 -0.525 1.00 0.00 C ATOM 1695 C CYS A 109 -5.190 0.911 0.578 1.00 0.00 C ATOM 1696 O CYS A 109 -4.791 1.271 1.683 1.00 0.00 O ATOM 1697 CB CYS A 109 -4.189 1.888 -1.443 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.812 2.059 -2.598 1.00 0.00 S ATOM 0 H CYS A 109 -4.694 -0.374 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.190 0.551 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.113 1.866 -2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.222 2.783 -0.822 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.924 1.141 -2.354 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.472 0.697 0.282 1.00 0.00 N ATOM 1705 CA LEU A 110 -7.541 0.823 1.259 1.00 0.00 C ATOM 1706 C LEU A 110 -7.378 -0.167 2.392 1.00 0.00 C ATOM 1707 O LEU A 110 -7.702 0.171 3.529 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.899 0.613 0.581 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.369 1.734 -0.348 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.591 1.280 -1.130 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.733 2.933 0.506 1.00 0.00 C ATOM 0 H LEU A 110 -6.794 0.430 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.492 1.828 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.856 -0.313 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.652 0.472 1.357 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.578 1.992 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.920 2.083 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.337 0.403 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.394 1.028 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.072 3.747 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.531 2.659 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.859 3.256 1.071 1.00 0.00 H new ATOM 1723 N SER A 111 -6.911 -1.380 2.092 1.00 0.00 N ATOM 1724 CA SER A 111 -6.661 -2.369 3.128 1.00 0.00 C ATOM 1725 C SER A 111 -5.565 -1.879 4.063 1.00 0.00 C ATOM 1726 O SER A 111 -5.704 -2.032 5.274 1.00 0.00 O ATOM 1727 CB SER A 111 -6.275 -3.699 2.513 1.00 0.00 C ATOM 1728 OG SER A 111 -7.347 -4.236 1.787 1.00 0.00 O ATOM 0 H SER A 111 -6.701 -1.695 1.145 1.00 0.00 H new ATOM 0 HA SER A 111 -7.576 -2.511 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.415 -3.567 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.974 -4.395 3.296 1.00 0.00 H new ATOM 0 HG SER A 111 -7.478 -3.718 0.965 1.00 0.00 H new ATOM 1734 N ILE A 112 -4.505 -1.286 3.510 1.00 0.00 N ATOM 1735 CA ILE A 112 -3.413 -0.727 4.305 1.00 0.00 C ATOM 1736 C ILE A 112 -3.916 0.441 5.161 1.00 0.00 C ATOM 1737 O ILE A 112 -3.575 0.528 6.344 1.00 0.00 O ATOM 1738 CB ILE A 112 -2.251 -0.303 3.387 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -1.640 -1.566 2.768 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -1.201 0.474 4.172 1.00 0.00 C ATOM 1741 CD1 ILE A 112 -0.691 -1.297 1.627 1.00 0.00 C ATOM 0 H ILE A 112 -4.381 -1.181 2.503 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.038 -1.492 4.985 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.622 0.353 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.110 -2.118 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.445 -2.209 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.389 0.764 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.655 1.367 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.807 -0.153 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.303 -2.242 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.219 -0.774 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.136 -0.681 1.979 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.714 1.327 4.555 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.326 2.463 5.237 1.00 0.00 C ATOM 1755 C ILE A 113 -6.181 1.990 6.399 1.00 0.00 C ATOM 1756 O ILE A 113 -6.161 2.598 7.469 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.217 3.306 4.294 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.393 4.048 3.235 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.026 4.297 5.115 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.245 4.637 2.125 1.00 0.00 C ATOM 0 H ILE A 113 -4.953 1.271 3.565 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.505 3.085 5.592 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.886 2.626 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.829 4.847 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.666 3.361 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.654 4.892 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.655 3.756 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.350 4.955 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.604 5.149 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.789 3.838 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.955 5.347 2.549 1.00 0.00 H new ATOM 1772 N SER A 114 -6.965 0.937 6.166 1.00 0.00 N ATOM 1773 CA SER A 114 -7.802 0.334 7.186 1.00 0.00 C ATOM 1774 C SER A 114 -6.957 -0.179 8.339 1.00 0.00 C ATOM 1775 O SER A 114 -7.207 0.254 9.464 1.00 0.00 O ATOM 1776 CB SER A 114 -8.627 -0.792 6.595 1.00 0.00 C ATOM 1777 OG SER A 114 -9.429 -1.401 7.570 1.00 0.00 O ATOM 0 H SER A 114 -7.033 0.481 5.256 1.00 0.00 H new ATOM 0 HA SER A 114 -8.479 1.098 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.256 -0.403 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.966 -1.535 6.149 1.00 0.00 H new ATOM 0 HG SER A 114 -9.951 -2.122 7.160 1.00 0.00 H new ATOM 1783 N MET A 115 -5.961 -1.030 8.042 1.00 0.00 N ATOM 1784 CA MET A 115 -5.048 -1.648 9.013 1.00 0.00 C ATOM 1785 C MET A 115 -4.406 -0.653 9.947 1.00 0.00 C ATOM 1786 O MET A 115 -4.315 -0.892 11.155 1.00 0.00 O ATOM 1787 CB MET A 115 -3.913 -2.377 8.298 1.00 0.00 C ATOM 1788 CG MET A 115 -4.259 -3.657 7.564 1.00 0.00 C ATOM 1789 SD MET A 115 -2.872 -4.201 6.551 1.00 0.00 S ATOM 1790 CE MET A 115 -1.656 -4.718 7.755 1.00 0.00 C ATOM 0 H MET A 115 -5.764 -1.316 7.083 1.00 0.00 H new ATOM 0 HA MET A 115 -5.669 -2.332 9.591 1.00 0.00 H new ATOM 0 HB2 MET A 115 -3.469 -1.687 7.581 1.00 0.00 H new ATOM 0 HB3 MET A 115 -3.144 -2.609 9.035 1.00 0.00 H new ATOM 0 HG2 MET A 115 -4.520 -4.435 8.281 1.00 0.00 H new ATOM 0 HG3 MET A 115 -5.135 -3.497 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 115 -0.814 -5.185 7.244 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.305 -3.850 8.314 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.106 -5.434 8.442 1.00 0.00 H new ATOM 1800 N LEU A 116 -4.012 0.497 9.397 1.00 0.00 N ATOM 1801 CA LEU A 116 -3.396 1.593 10.137 1.00 0.00 C ATOM 1802 C LEU A 116 -4.148 1.891 11.448 1.00 0.00 C ATOM 1803 O LEU A 116 -3.519 2.275 12.432 1.00 0.00 O ATOM 1804 CB LEU A 116 -3.347 2.848 9.252 1.00 0.00 C ATOM 1805 CG LEU A 116 -2.604 4.063 9.823 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.139 3.690 10.034 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -2.734 5.239 8.867 1.00 0.00 C ATOM 0 H LEU A 116 -4.116 0.694 8.402 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.383 1.294 10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.881 2.578 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.371 3.148 9.030 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.037 4.355 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.600 4.546 10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.073 2.856 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.696 3.401 9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.205 6.100 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.303 4.973 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.787 5.488 8.738 1.00 0.00 H new ATOM 1819 N SER A 117 -5.474 1.714 11.488 1.00 0.00 N ATOM 1820 CA SER A 117 -6.243 1.966 12.699 1.00 0.00 C ATOM 1821 C SER A 117 -7.024 0.731 13.166 1.00 0.00 C ATOM 1822 O SER A 117 -7.173 0.512 14.369 1.00 0.00 O ATOM 1823 CB SER A 117 -7.230 3.085 12.454 1.00 0.00 C ATOM 1824 OG SER A 117 -8.176 2.710 11.489 1.00 0.00 O ATOM 0 H SER A 117 -6.030 1.398 10.694 1.00 0.00 H new ATOM 0 HA SER A 117 -5.528 2.235 13.476 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.735 3.341 13.385 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.700 3.978 12.123 1.00 0.00 H new ATOM 0 HG SER A 117 -8.807 3.446 11.346 1.00 0.00 H new ATOM 1830 N SER A 118 -7.506 -0.087 12.228 1.00 0.00 N ATOM 1831 CA SER A 118 -8.324 -1.252 12.557 1.00 0.00 C ATOM 1832 C SER A 118 -7.559 -2.355 13.263 1.00 0.00 C ATOM 1833 O SER A 118 -8.172 -3.205 13.909 1.00 0.00 O ATOM 1834 CB SER A 118 -8.952 -1.847 11.311 1.00 0.00 C ATOM 1835 OG SER A 118 -7.992 -2.474 10.505 1.00 0.00 O ATOM 0 H SER A 118 -7.342 0.039 11.229 1.00 0.00 H new ATOM 0 HA SER A 118 -9.086 -0.874 13.238 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.717 -2.569 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.450 -1.062 10.742 1.00 0.00 H new ATOM 0 HG SER A 118 -8.426 -2.849 9.711 1.00 0.00 H new