USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-3.2) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0137 USER MOD Set 2.1: A 51 THR OG1 : rot -29:sc= 0.386 USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.165 X(o=0.62,f=0.91) USER MOD Set 3.2: A 50 SER OG : rot -98:sc= 0.788 USER MOD Set 4.1: A 24 SER OG : rot 180:sc= -0.245 USER MOD Set 4.2: A 27 ASN : amide:sc= -4.46! K(o=-4.7!,f=-0.12) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -152:sc= -11.2! (180deg=-13.8!) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0.522 (180deg=0.517) USER MOD Single : A 19 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.4) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0468) USER MOD Single : A 36 SER OG : rot -91:sc= -2.06! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00883 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.4!) USER MOD Single : A 59 ASN : amide:sc= -2.31! C(o=-2.3!,f=-6.4!) USER MOD Single : A 60 SER OG : rot -122:sc= 0.249 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 72 SER OG : rot -145:sc= 0.335 USER MOD Single : A 74 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.5!) USER MOD Single : A 77 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.25) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 144:sc= -1.13 USER MOD Single : A 91 SER OG : rot 180:sc= -2.61! USER MOD Single : A 93 ASN : amide:sc= -3.99! C(o=-4!,f=-8.4!) USER MOD Single : A 96 LYS NZ :NH3+ -119:sc= 0.0337 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.142 USER MOD Single : A 103 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.0025) USER MOD Single : A 105 MET CE :methyl -155:sc= -1.45 (180deg=-3.86) USER MOD Single : A 106 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.44) USER MOD Single : A 113 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.2!) USER MOD Single : A 116 LYS NZ :NH3+ 172:sc=-0.000748 (180deg=-0.0774) USER MOD Single : A 118 THR OG1 : rot -56:sc= 0.362 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.238 -9.788 1.026 1.00 0.00 N ATOM 2 CA LYS A 1 -5.990 -10.428 0.533 1.00 0.00 C ATOM 3 C LYS A 1 -4.820 -9.450 0.563 1.00 0.00 C ATOM 4 O LYS A 1 -4.800 -8.469 -0.180 1.00 0.00 O ATOM 5 CB LYS A 1 -6.228 -10.925 -0.894 1.00 0.00 C ATOM 6 CG LYS A 1 -5.165 -11.892 -1.387 1.00 0.00 C ATOM 7 CD LYS A 1 -5.592 -13.337 -1.187 1.00 0.00 C ATOM 8 CE LYS A 1 -5.349 -14.167 -2.437 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.217 -15.375 -2.480 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.017 -10.476 0.994 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.100 -9.466 2.005 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.472 -8.973 0.424 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.735 -11.264 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.201 -11.413 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.267 -10.068 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.970 -11.712 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.231 -11.710 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.042 -13.768 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.650 -13.372 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.534 -13.556 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.303 -14.471 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.020 -15.913 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.023 -15.972 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.216 -15.085 -2.472 1.00 0.00 H new ATOM 25 N VAL A 2 -3.847 -9.725 1.426 1.00 0.00 N ATOM 26 CA VAL A 2 -2.673 -8.870 1.553 1.00 0.00 C ATOM 27 C VAL A 2 -1.425 -9.561 1.015 1.00 0.00 C ATOM 28 O VAL A 2 -1.099 -10.674 1.431 1.00 0.00 O ATOM 29 CB VAL A 2 -2.419 -8.468 3.023 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.113 -7.700 3.158 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.570 -7.640 3.565 1.00 0.00 C ATOM 0 H VAL A 2 -3.849 -10.534 2.048 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.877 -7.975 0.966 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.345 -9.384 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.957 -7.428 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.287 -8.325 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.158 -6.796 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.367 -7.370 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.679 -6.734 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.491 -8.221 3.515 1.00 0.00 H new ATOM 41 N PHE A 3 -0.707 -8.887 0.119 1.00 0.00 N ATOM 42 CA PHE A 3 0.523 -9.439 -0.429 1.00 0.00 C ATOM 43 C PHE A 3 1.619 -9.401 0.626 1.00 0.00 C ATOM 44 O PHE A 3 1.423 -8.873 1.720 1.00 0.00 O ATOM 45 CB PHE A 3 0.995 -8.632 -1.642 1.00 0.00 C ATOM 46 CG PHE A 3 0.079 -8.674 -2.830 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.856 -9.685 -2.986 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.170 -7.695 -3.803 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.680 -9.714 -4.094 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.650 -7.718 -4.908 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.577 -8.728 -5.056 1.00 0.00 C ATOM 0 H PHE A 3 -0.956 -7.965 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 3 0.321 -10.465 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.125 -7.593 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.975 -9.001 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.941 -10.456 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.895 -6.902 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.404 -10.507 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.568 -6.946 -5.658 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.221 -8.748 -5.922 1.00 0.00 H new ATOM 61 N GLY A 4 2.778 -9.941 0.283 1.00 0.00 N ATOM 62 CA GLY A 4 3.897 -9.935 1.201 1.00 0.00 C ATOM 63 C GLY A 4 4.837 -8.783 0.911 1.00 0.00 C ATOM 64 O GLY A 4 4.413 -7.751 0.391 1.00 0.00 O ATOM 0 H GLY A 4 2.964 -10.384 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.531 -9.860 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.439 -10.878 1.125 1.00 0.00 H new ATOM 68 N ARG A 5 6.112 -8.952 1.233 1.00 0.00 N ATOM 69 CA ARG A 5 7.096 -7.907 0.987 1.00 0.00 C ATOM 70 C ARG A 5 7.719 -8.065 -0.389 1.00 0.00 C ATOM 71 O ARG A 5 7.689 -7.140 -1.200 1.00 0.00 O ATOM 72 CB ARG A 5 8.181 -7.923 2.064 1.00 0.00 C ATOM 73 CG ARG A 5 7.639 -7.762 3.475 1.00 0.00 C ATOM 74 CD ARG A 5 8.714 -7.274 4.433 1.00 0.00 C ATOM 75 NE ARG A 5 8.757 -8.067 5.658 1.00 0.00 N ATOM 76 CZ ARG A 5 9.718 -7.964 6.572 1.00 0.00 C ATOM 77 NH1 ARG A 5 10.712 -7.102 6.399 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.685 -8.721 7.660 1.00 0.00 N ATOM 0 H ARG A 5 6.488 -9.797 1.663 1.00 0.00 H new ATOM 0 HA ARG A 5 6.583 -6.946 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.731 -8.862 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.893 -7.122 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.808 -7.056 3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.244 -8.716 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.685 -7.316 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.529 -6.230 4.684 1.00 0.00 H new ATOM 0 HE ARG A 5 8.007 -8.739 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.740 -6.517 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.448 -7.025 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.922 -9.384 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.423 -8.641 8.360 1.00 0.00 H new ATOM 92 N CYS A 6 8.282 -9.235 -0.654 1.00 0.00 N ATOM 93 CA CYS A 6 8.903 -9.483 -1.942 1.00 0.00 C ATOM 94 C CYS A 6 7.886 -9.979 -2.954 1.00 0.00 C ATOM 95 O CYS A 6 7.961 -9.627 -4.123 1.00 0.00 O ATOM 96 CB CYS A 6 10.040 -10.481 -1.825 1.00 0.00 C ATOM 97 SG CYS A 6 11.020 -10.326 -0.297 1.00 0.00 S ATOM 0 H CYS A 6 8.321 -10.018 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 6 9.310 -8.533 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.630 -11.489 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.703 -10.361 -2.682 1.00 0.00 H new ATOM 102 N GLU A 7 6.929 -10.786 -2.507 1.00 0.00 N ATOM 103 CA GLU A 7 5.903 -11.293 -3.411 1.00 0.00 C ATOM 104 C GLU A 7 5.376 -10.141 -4.253 1.00 0.00 C ATOM 105 O GLU A 7 5.349 -10.204 -5.486 1.00 0.00 O ATOM 106 CB GLU A 7 4.763 -11.944 -2.624 1.00 0.00 C ATOM 107 CG GLU A 7 4.366 -13.314 -3.150 1.00 0.00 C ATOM 108 CD GLU A 7 4.221 -14.342 -2.045 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.189 -14.318 -1.343 1.00 0.00 O ATOM 110 OE2 GLU A 7 5.141 -15.171 -1.881 1.00 0.00 O ATOM 0 H GLU A 7 6.842 -11.099 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 7 6.337 -12.053 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.060 -12.037 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.893 -11.288 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.424 -13.232 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.115 -13.656 -3.864 1.00 0.00 H new ATOM 117 N LEU A 8 4.989 -9.074 -3.568 1.00 0.00 N ATOM 118 CA LEU A 8 4.492 -7.883 -4.227 1.00 0.00 C ATOM 119 C LEU A 8 5.603 -7.224 -5.039 1.00 0.00 C ATOM 120 O LEU A 8 5.361 -6.761 -6.151 1.00 0.00 O ATOM 121 CB LEU A 8 3.931 -6.897 -3.194 1.00 0.00 C ATOM 122 CG LEU A 8 3.312 -5.607 -3.757 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.361 -4.511 -3.863 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.659 -5.853 -5.111 1.00 0.00 C ATOM 0 H LEU A 8 5.012 -9.013 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 8 3.689 -8.171 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.173 -7.412 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.734 -6.622 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 8 2.536 -5.280 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.903 -3.607 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.771 -4.303 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.162 -4.837 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.231 -4.922 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.408 -6.215 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.871 -6.598 -5.005 1.00 0.00 H new ATOM 136 N ALA A 9 6.823 -7.185 -4.486 1.00 0.00 N ATOM 137 CA ALA A 9 7.950 -6.569 -5.186 1.00 0.00 C ATOM 138 C ALA A 9 8.228 -7.268 -6.508 1.00 0.00 C ATOM 139 O ALA A 9 8.313 -6.621 -7.549 1.00 0.00 O ATOM 140 CB ALA A 9 9.192 -6.561 -4.315 1.00 0.00 C ATOM 0 H ALA A 9 7.050 -7.568 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 9 7.677 -5.536 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.015 -6.098 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.994 -5.995 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.460 -7.585 -4.054 1.00 0.00 H new ATOM 146 N ALA A 10 8.361 -8.590 -6.467 1.00 0.00 N ATOM 147 CA ALA A 10 8.610 -9.362 -7.673 1.00 0.00 C ATOM 148 C ALA A 10 7.584 -8.994 -8.728 1.00 0.00 C ATOM 149 O ALA A 10 7.905 -8.869 -9.909 1.00 0.00 O ATOM 150 CB ALA A 10 8.563 -10.853 -7.372 1.00 0.00 C ATOM 0 H ALA A 10 8.300 -9.145 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 10 9.606 -9.128 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.752 -11.415 -8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.324 -11.099 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.579 -11.115 -6.982 1.00 0.00 H new ATOM 156 N ALA A 11 6.344 -8.799 -8.283 1.00 0.00 N ATOM 157 CA ALA A 11 5.273 -8.416 -9.187 1.00 0.00 C ATOM 158 C ALA A 11 5.562 -7.058 -9.789 1.00 0.00 C ATOM 159 O ALA A 11 5.286 -6.801 -10.961 1.00 0.00 O ATOM 160 CB ALA A 11 3.932 -8.422 -8.470 1.00 0.00 C ATOM 0 H ALA A 11 6.062 -8.900 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 11 5.219 -9.147 -9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.146 -8.132 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.728 -9.422 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.960 -7.716 -7.640 1.00 0.00 H new ATOM 166 N MET A 12 6.132 -6.206 -8.968 1.00 0.00 N ATOM 167 CA MET A 12 6.496 -4.854 -9.389 1.00 0.00 C ATOM 168 C MET A 12 7.542 -4.908 -10.493 1.00 0.00 C ATOM 169 O MET A 12 7.404 -4.258 -11.529 1.00 0.00 O ATOM 170 CB MET A 12 7.058 -4.045 -8.222 1.00 0.00 C ATOM 171 CG MET A 12 6.295 -4.222 -6.924 1.00 0.00 C ATOM 172 SD MET A 12 4.689 -3.408 -6.955 1.00 0.00 S ATOM 173 CE MET A 12 5.173 -1.761 -7.458 1.00 0.00 C ATOM 0 H MET A 12 6.359 -6.418 -7.996 1.00 0.00 H new ATOM 0 HA MET A 12 5.591 -4.371 -9.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.098 -4.331 -8.062 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.056 -2.989 -8.491 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.157 -5.285 -6.729 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.886 -3.822 -6.101 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.459 -1.036 -7.067 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.166 -1.539 -7.068 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.189 -1.703 -8.546 1.00 0.00 H new ATOM 183 N LYS A 13 8.591 -5.692 -10.253 1.00 0.00 N ATOM 184 CA LYS A 13 9.672 -5.845 -11.218 1.00 0.00 C ATOM 185 C LYS A 13 9.108 -6.182 -12.586 1.00 0.00 C ATOM 186 O LYS A 13 9.441 -5.542 -13.584 1.00 0.00 O ATOM 187 CB LYS A 13 10.642 -6.939 -10.765 1.00 0.00 C ATOM 188 CG LYS A 13 11.883 -7.051 -11.635 1.00 0.00 C ATOM 189 CD LYS A 13 13.003 -6.157 -11.126 1.00 0.00 C ATOM 190 CE LYS A 13 14.243 -6.265 -11.999 1.00 0.00 C ATOM 191 NZ LYS A 13 15.059 -5.022 -11.961 1.00 0.00 N ATOM 0 H LYS A 13 8.713 -6.231 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 13 10.216 -4.902 -11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.946 -6.740 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.122 -7.897 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.223 -8.086 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.635 -6.778 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.662 -5.122 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.253 -6.433 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.849 -7.107 -11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.946 -6.473 -13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.886 -5.130 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.484 -4.219 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.379 -4.846 -10.987 1.00 0.00 H new ATOM 205 N ARG A 14 8.237 -7.183 -12.621 1.00 0.00 N ATOM 206 CA ARG A 14 7.610 -7.597 -13.863 1.00 0.00 C ATOM 207 C ARG A 14 6.763 -6.462 -14.420 1.00 0.00 C ATOM 208 O ARG A 14 6.654 -6.296 -15.635 1.00 0.00 O ATOM 209 CB ARG A 14 6.743 -8.838 -13.637 1.00 0.00 C ATOM 210 CG ARG A 14 7.511 -10.022 -13.074 1.00 0.00 C ATOM 211 CD ARG A 14 6.596 -11.208 -12.816 1.00 0.00 C ATOM 212 NE ARG A 14 5.608 -10.922 -11.778 1.00 0.00 N ATOM 213 CZ ARG A 14 4.913 -11.860 -11.143 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.095 -13.140 -11.438 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.033 -11.518 -10.211 1.00 0.00 N ATOM 0 H ARG A 14 7.951 -7.721 -11.803 1.00 0.00 H new ATOM 0 HA ARG A 14 8.390 -7.846 -14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.931 -8.585 -12.955 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.286 -9.129 -14.583 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.297 -10.312 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.001 -9.731 -12.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.084 -11.478 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.194 -12.070 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 14 5.442 -9.947 -11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.770 -13.407 -12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.560 -13.857 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.889 -10.535 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.500 -12.238 -9.724 1.00 0.00 H new ATOM 229 N HIS A 15 6.143 -5.696 -13.524 1.00 0.00 N ATOM 230 CA HIS A 15 5.280 -4.596 -13.925 1.00 0.00 C ATOM 231 C HIS A 15 6.080 -3.376 -14.369 1.00 0.00 C ATOM 232 O HIS A 15 5.502 -2.402 -14.852 1.00 0.00 O ATOM 233 CB HIS A 15 4.352 -4.210 -12.772 1.00 0.00 C ATOM 234 CG HIS A 15 3.071 -4.985 -12.744 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.445 -5.361 -11.574 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.295 -5.453 -13.750 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.341 -6.026 -11.862 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.227 -6.096 -13.175 1.00 0.00 N ATOM 0 H HIS A 15 6.225 -5.820 -12.515 1.00 0.00 H new ATOM 0 HA HIS A 15 4.691 -4.937 -14.776 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.877 -4.360 -11.829 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.122 -3.147 -12.843 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.782 -5.157 -10.633 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.481 -5.341 -14.808 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.649 -6.442 -11.145 1.00 0.00 H new ATOM 247 N GLY A 16 7.406 -3.436 -14.262 1.00 0.00 N ATOM 248 CA GLY A 16 8.235 -2.337 -14.720 1.00 0.00 C ATOM 249 C GLY A 16 8.273 -1.122 -13.811 1.00 0.00 C ATOM 250 O GLY A 16 8.546 -0.021 -14.290 1.00 0.00 O ATOM 0 H GLY A 16 7.918 -4.225 -13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.253 -2.703 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.881 -2.023 -15.702 1.00 0.00 H new ATOM 254 N LEU A 17 8.009 -1.275 -12.513 1.00 0.00 N ATOM 255 CA LEU A 17 8.042 -0.113 -11.630 1.00 0.00 C ATOM 256 C LEU A 17 9.424 0.084 -11.037 1.00 0.00 C ATOM 257 O LEU A 17 9.676 1.044 -10.314 1.00 0.00 O ATOM 258 CB LEU A 17 7.006 -0.224 -10.513 1.00 0.00 C ATOM 259 CG LEU A 17 5.645 -0.809 -10.904 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.546 -0.166 -10.077 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.351 -0.618 -12.387 1.00 0.00 C ATOM 0 H LEU A 17 7.778 -2.161 -12.063 1.00 0.00 H new ATOM 0 HA LEU A 17 7.794 0.757 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.426 -0.838 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.844 0.770 -10.097 1.00 0.00 H new ATOM 0 HG LEU A 17 5.678 -1.880 -10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.582 -0.588 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.727 -0.357 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.538 0.909 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.377 -1.047 -12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.346 0.446 -12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.120 -1.117 -12.977 1.00 0.00 H new ATOM 273 N ASP A 18 10.315 -0.831 -11.353 1.00 0.00 N ATOM 274 CA ASP A 18 11.683 -0.762 -10.852 1.00 0.00 C ATOM 275 C ASP A 18 12.453 0.371 -11.529 1.00 0.00 C ATOM 276 O ASP A 18 13.004 0.209 -12.618 1.00 0.00 O ATOM 277 CB ASP A 18 12.399 -2.103 -11.045 1.00 0.00 C ATOM 278 CG ASP A 18 13.904 -1.952 -11.174 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.549 -1.570 -10.176 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.434 -2.217 -12.272 1.00 0.00 O ATOM 0 H ASP A 18 10.123 -1.633 -11.953 1.00 0.00 H new ATOM 0 HA ASP A 18 11.644 -0.550 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.175 -2.754 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.010 -2.593 -11.938 1.00 0.00 H new ATOM 285 N ASN A 19 12.477 1.520 -10.859 1.00 0.00 N ATOM 286 CA ASN A 19 13.168 2.712 -11.350 1.00 0.00 C ATOM 287 C ASN A 19 12.535 3.230 -12.631 1.00 0.00 C ATOM 288 O ASN A 19 13.217 3.759 -13.510 1.00 0.00 O ATOM 289 CB ASN A 19 14.655 2.422 -11.571 1.00 0.00 C ATOM 290 CG ASN A 19 15.532 3.612 -11.235 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.395 4.219 -10.174 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.440 3.953 -12.143 1.00 0.00 N ATOM 0 H ASN A 19 12.017 1.652 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 19 13.072 3.487 -10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.951 1.571 -10.958 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.816 2.137 -12.611 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.058 4.746 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.519 3.421 -13.010 1.00 0.00 H new ATOM 299 N TYR A 20 11.223 3.088 -12.718 1.00 0.00 N ATOM 300 CA TYR A 20 10.482 3.556 -13.880 1.00 0.00 C ATOM 301 C TYR A 20 10.483 5.074 -13.883 1.00 0.00 C ATOM 302 O TYR A 20 10.994 5.681 -12.942 1.00 0.00 O ATOM 303 CB TYR A 20 9.046 3.018 -13.833 1.00 0.00 C ATOM 304 CG TYR A 20 8.224 3.333 -15.063 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.529 2.766 -16.293 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.139 4.199 -14.991 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.777 3.054 -17.417 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.382 4.491 -16.108 1.00 0.00 C ATOM 309 CZ TYR A 20 6.704 3.917 -17.319 1.00 0.00 C ATOM 310 OH TYR A 20 5.954 4.204 -18.435 1.00 0.00 O ATOM 0 H TYR A 20 10.647 2.652 -11.998 1.00 0.00 H new ATOM 0 HA TYR A 20 10.953 3.194 -14.794 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.080 1.937 -13.700 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.544 3.432 -12.959 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.367 2.089 -16.373 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.884 4.652 -14.044 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.028 2.606 -18.367 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.542 5.166 -16.033 1.00 0.00 H new ATOM 0 HH TYR A 20 5.236 4.826 -18.195 1.00 0.00 H new ATOM 320 N ARG A 21 9.936 5.682 -14.941 1.00 0.00 N ATOM 321 CA ARG A 21 9.880 7.139 -15.057 1.00 0.00 C ATOM 322 C ARG A 21 9.725 7.780 -13.678 1.00 0.00 C ATOM 323 O ARG A 21 10.148 8.913 -13.448 1.00 0.00 O ATOM 324 CB ARG A 21 8.719 7.557 -15.960 1.00 0.00 C ATOM 325 CG ARG A 21 9.030 7.439 -17.443 1.00 0.00 C ATOM 326 CD ARG A 21 9.253 8.803 -18.076 1.00 0.00 C ATOM 327 NE ARG A 21 8.000 9.417 -18.509 1.00 0.00 N ATOM 328 CZ ARG A 21 7.909 10.268 -19.527 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.992 10.605 -20.213 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.732 10.782 -19.859 1.00 0.00 N ATOM 0 H ARG A 21 9.525 5.184 -15.730 1.00 0.00 H new ATOM 0 HA ARG A 21 10.814 7.484 -15.501 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.850 6.941 -15.729 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.447 8.588 -15.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.918 6.823 -17.582 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.208 6.932 -17.949 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.749 9.458 -17.360 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.921 8.701 -18.931 1.00 0.00 H new ATOM 0 HE ARG A 21 7.147 9.180 -18.002 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.899 10.211 -19.961 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.919 11.258 -20.993 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.897 10.525 -19.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.662 11.435 -20.640 1.00 0.00 H new ATOM 344 N GLY A 22 9.152 7.009 -12.759 1.00 0.00 N ATOM 345 CA GLY A 22 8.979 7.457 -11.398 1.00 0.00 C ATOM 346 C GLY A 22 10.153 7.054 -10.521 1.00 0.00 C ATOM 347 O GLY A 22 11.216 7.670 -10.576 1.00 0.00 O ATOM 0 H GLY A 22 8.801 6.069 -12.942 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.869 8.541 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.059 7.037 -10.991 1.00 0.00 H new ATOM 351 N TYR A 23 9.947 6.038 -9.683 1.00 0.00 N ATOM 352 CA TYR A 23 10.996 5.595 -8.769 1.00 0.00 C ATOM 353 C TYR A 23 11.301 4.106 -8.861 1.00 0.00 C ATOM 354 O TYR A 23 10.704 3.374 -9.650 1.00 0.00 O ATOM 355 CB TYR A 23 10.628 5.963 -7.334 1.00 0.00 C ATOM 356 CG TYR A 23 10.888 7.414 -6.998 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.113 8.424 -7.553 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.908 7.774 -6.126 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.345 9.752 -7.251 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.146 9.100 -5.817 1.00 0.00 C ATOM 361 CZ TYR A 23 11.363 10.084 -6.381 1.00 0.00 C ATOM 362 OH TYR A 23 11.598 11.405 -6.076 1.00 0.00 O ATOM 0 H TYR A 23 9.075 5.513 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 23 11.905 6.114 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.573 5.744 -7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.195 5.332 -6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.314 8.167 -8.233 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.524 7.006 -5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.734 10.525 -7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.942 9.364 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 23 12.348 11.467 -5.449 1.00 0.00 H new ATOM 372 N SER A 24 12.269 3.685 -8.044 1.00 0.00 N ATOM 373 CA SER A 24 12.717 2.302 -8.004 1.00 0.00 C ATOM 374 C SER A 24 11.812 1.431 -7.145 1.00 0.00 C ATOM 375 O SER A 24 10.995 1.928 -6.370 1.00 0.00 O ATOM 376 CB SER A 24 14.152 2.230 -7.478 1.00 0.00 C ATOM 377 OG SER A 24 14.207 2.547 -6.098 1.00 0.00 O ATOM 0 H SER A 24 12.761 4.298 -7.394 1.00 0.00 H new ATOM 0 HA SER A 24 12.676 1.918 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.552 1.229 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.783 2.920 -8.038 1.00 0.00 H new ATOM 0 HG SER A 24 15.135 2.492 -5.787 1.00 0.00 H new ATOM 383 N LEU A 25 11.980 0.123 -7.304 1.00 0.00 N ATOM 384 CA LEU A 25 11.207 -0.868 -6.569 1.00 0.00 C ATOM 385 C LEU A 25 11.042 -0.489 -5.099 1.00 0.00 C ATOM 386 O LEU A 25 9.921 -0.384 -4.603 1.00 0.00 O ATOM 387 CB LEU A 25 11.893 -2.228 -6.686 1.00 0.00 C ATOM 388 CG LEU A 25 11.258 -3.183 -7.691 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.301 -4.139 -8.247 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.120 -3.948 -7.042 1.00 0.00 C ATOM 0 H LEU A 25 12.659 -0.280 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 25 10.209 -0.912 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.935 -2.070 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.894 -2.704 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 25 10.853 -2.601 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.831 -4.814 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.086 -3.571 -8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.734 -4.719 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.675 -4.626 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.502 -4.522 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.364 -3.246 -6.691 1.00 0.00 H new ATOM 402 N GLY A 26 12.163 -0.308 -4.405 1.00 0.00 N ATOM 403 CA GLY A 26 12.126 0.039 -2.991 1.00 0.00 C ATOM 404 C GLY A 26 11.104 1.112 -2.655 1.00 0.00 C ATOM 405 O GLY A 26 10.475 1.063 -1.598 1.00 0.00 O ATOM 0 H GLY A 26 13.101 -0.396 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.904 -0.857 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.114 0.381 -2.683 1.00 0.00 H new ATOM 409 N ASN A 27 10.939 2.083 -3.547 1.00 0.00 N ATOM 410 CA ASN A 27 9.985 3.167 -3.325 1.00 0.00 C ATOM 411 C ASN A 27 8.550 2.657 -3.393 1.00 0.00 C ATOM 412 O ASN A 27 7.677 3.128 -2.664 1.00 0.00 O ATOM 413 CB ASN A 27 10.194 4.279 -4.353 1.00 0.00 C ATOM 414 CG ASN A 27 11.562 4.923 -4.239 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.785 5.784 -3.389 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.485 4.508 -5.097 1.00 0.00 N ATOM 0 H ASN A 27 11.451 2.143 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 27 10.159 3.568 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.070 3.871 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.425 5.040 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.424 4.906 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.256 3.791 -5.786 1.00 0.00 H new ATOM 423 N TRP A 28 8.317 1.684 -4.268 1.00 0.00 N ATOM 424 CA TRP A 28 6.992 1.098 -4.433 1.00 0.00 C ATOM 425 C TRP A 28 6.620 0.228 -3.247 1.00 0.00 C ATOM 426 O TRP A 28 5.487 0.268 -2.770 1.00 0.00 O ATOM 427 CB TRP A 28 6.944 0.277 -5.711 1.00 0.00 C ATOM 428 CG TRP A 28 7.152 1.121 -6.915 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.319 1.301 -7.585 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.171 1.917 -7.581 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.135 2.177 -8.620 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.819 2.564 -8.647 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.807 2.143 -7.378 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.151 3.427 -9.510 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.138 2.996 -8.233 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.811 3.631 -9.291 1.00 0.00 C ATOM 0 H TRP A 28 9.032 1.284 -4.876 1.00 0.00 H new ATOM 0 HA TRP A 28 6.270 1.912 -4.495 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.709 -0.499 -5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.981 -0.228 -5.783 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.255 0.823 -7.337 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.859 2.491 -9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.285 1.659 -6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.667 3.918 -10.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.083 3.178 -8.087 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.263 4.293 -9.945 1.00 0.00 H new ATOM 447 N VAL A 29 7.573 -0.566 -2.774 1.00 0.00 N ATOM 448 CA VAL A 29 7.335 -1.449 -1.647 1.00 0.00 C ATOM 449 C VAL A 29 7.068 -0.660 -0.377 1.00 0.00 C ATOM 450 O VAL A 29 6.101 -0.923 0.332 1.00 0.00 O ATOM 451 CB VAL A 29 8.537 -2.385 -1.418 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.292 -3.307 -0.235 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.835 -3.180 -2.681 1.00 0.00 C ATOM 0 H VAL A 29 8.517 -0.614 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 29 6.454 -2.045 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 29 9.409 -1.775 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.156 -3.957 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.137 -2.711 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.407 -3.915 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.687 -3.837 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.964 -3.778 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.068 -2.495 -3.496 1.00 0.00 H new ATOM 463 N CYS A 30 7.933 0.300 -0.091 1.00 0.00 N ATOM 464 CA CYS A 30 7.786 1.115 1.102 1.00 0.00 C ATOM 465 C CYS A 30 6.463 1.878 1.092 1.00 0.00 C ATOM 466 O CYS A 30 5.754 1.913 2.100 1.00 0.00 O ATOM 467 CB CYS A 30 8.954 2.090 1.222 1.00 0.00 C ATOM 468 SG CYS A 30 9.142 2.806 2.884 1.00 0.00 S ATOM 0 H CYS A 30 8.742 0.533 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 30 7.786 0.450 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.875 1.574 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.818 2.897 0.502 1.00 0.00 H new ATOM 473 N ALA A 31 6.134 2.495 -0.042 1.00 0.00 N ATOM 474 CA ALA A 31 4.899 3.259 -0.162 1.00 0.00 C ATOM 475 C ALA A 31 3.669 2.374 0.001 1.00 0.00 C ATOM 476 O ALA A 31 2.743 2.718 0.730 1.00 0.00 O ATOM 477 CB ALA A 31 4.856 3.976 -1.503 1.00 0.00 C ATOM 0 H ALA A 31 6.705 2.479 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 31 4.885 3.995 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.929 4.544 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.705 4.655 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.903 3.244 -2.309 1.00 0.00 H new ATOM 483 N ALA A 32 3.666 1.236 -0.687 1.00 0.00 N ATOM 484 CA ALA A 32 2.542 0.307 -0.625 1.00 0.00 C ATOM 485 C ALA A 32 2.425 -0.349 0.747 1.00 0.00 C ATOM 486 O ALA A 32 1.344 -0.385 1.334 1.00 0.00 O ATOM 487 CB ALA A 32 2.680 -0.754 -1.707 1.00 0.00 C ATOM 0 H ALA A 32 4.429 0.935 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 32 1.629 0.878 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.836 -1.442 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.694 -0.275 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.608 -1.306 -1.559 1.00 0.00 H new ATOM 493 N LYS A 33 3.539 -0.880 1.242 1.00 0.00 N ATOM 494 CA LYS A 33 3.569 -1.552 2.537 1.00 0.00 C ATOM 495 C LYS A 33 2.863 -0.737 3.610 1.00 0.00 C ATOM 496 O LYS A 33 1.952 -1.225 4.270 1.00 0.00 O ATOM 497 CB LYS A 33 5.016 -1.810 2.964 1.00 0.00 C ATOM 498 CG LYS A 33 5.141 -2.500 4.313 1.00 0.00 C ATOM 499 CD LYS A 33 6.534 -2.331 4.898 1.00 0.00 C ATOM 500 CE LYS A 33 6.478 -1.995 6.380 1.00 0.00 C ATOM 501 NZ LYS A 33 5.796 -3.062 7.166 1.00 0.00 N ATOM 0 H LYS A 33 4.439 -0.857 0.762 1.00 0.00 H new ATOM 0 HA LYS A 33 3.042 -2.499 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.506 -2.422 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.550 -0.860 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.403 -2.090 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.918 -3.561 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.105 -3.248 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.061 -1.540 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.490 -1.856 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.953 -1.050 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.853 -2.837 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.798 -3.120 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.261 -3.975 6.988 1.00 0.00 H new ATOM 515 N PHE A 34 3.304 0.496 3.797 1.00 0.00 N ATOM 516 CA PHE A 34 2.716 1.354 4.814 1.00 0.00 C ATOM 517 C PHE A 34 1.370 1.913 4.389 1.00 0.00 C ATOM 518 O PHE A 34 0.587 2.363 5.225 1.00 0.00 O ATOM 519 CB PHE A 34 3.665 2.478 5.176 1.00 0.00 C ATOM 520 CG PHE A 34 4.581 2.152 6.322 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.112 2.168 7.626 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.908 1.828 6.094 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.951 1.869 8.682 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.752 1.527 7.147 1.00 0.00 C ATOM 525 CZ PHE A 34 6.273 1.549 8.442 1.00 0.00 C ATOM 0 H PHE A 34 4.061 0.923 3.263 1.00 0.00 H new ATOM 0 HA PHE A 34 2.545 0.735 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.266 2.729 4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.084 3.365 5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.079 2.417 7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.288 1.810 5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.574 1.885 9.694 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.785 1.275 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.931 1.316 9.266 1.00 0.00 H new ATOM 535 N GLU A 35 1.099 1.895 3.093 1.00 0.00 N ATOM 536 CA GLU A 35 -0.156 2.410 2.572 1.00 0.00 C ATOM 537 C GLU A 35 -1.344 1.562 3.007 1.00 0.00 C ATOM 538 O GLU A 35 -2.320 2.074 3.557 1.00 0.00 O ATOM 539 CB GLU A 35 -0.094 2.447 1.046 1.00 0.00 C ATOM 540 CG GLU A 35 -0.205 3.846 0.463 1.00 0.00 C ATOM 541 CD GLU A 35 0.402 3.947 -0.921 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.300 3.620 -1.900 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.579 4.351 -1.027 1.00 0.00 O ATOM 0 H GLU A 35 1.733 1.529 2.383 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.297 3.414 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.845 2.000 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.898 1.831 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.255 4.135 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.292 4.553 1.127 1.00 0.00 H new ATOM 550 N SER A 36 -1.273 0.272 2.709 1.00 0.00 N ATOM 551 CA SER A 36 -2.366 -0.645 3.018 1.00 0.00 C ATOM 552 C SER A 36 -1.878 -1.907 3.718 1.00 0.00 C ATOM 553 O SER A 36 -2.609 -2.893 3.798 1.00 0.00 O ATOM 554 CB SER A 36 -3.072 -1.035 1.715 1.00 0.00 C ATOM 555 OG SER A 36 -2.129 -1.415 0.730 1.00 0.00 O ATOM 0 H SER A 36 -0.471 -0.165 2.254 1.00 0.00 H new ATOM 0 HA SER A 36 -3.050 -0.134 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.762 -1.858 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.666 -0.196 1.352 1.00 0.00 H new ATOM 0 HG SER A 36 -1.874 -0.630 0.201 1.00 0.00 H new ATOM 561 N ASN A 37 -0.641 -1.891 4.196 1.00 0.00 N ATOM 562 CA ASN A 37 -0.078 -3.066 4.850 1.00 0.00 C ATOM 563 C ASN A 37 -0.086 -4.224 3.861 1.00 0.00 C ATOM 564 O ASN A 37 -0.173 -5.386 4.242 1.00 0.00 O ATOM 565 CB ASN A 37 -0.876 -3.428 6.106 1.00 0.00 C ATOM 566 CG ASN A 37 -1.071 -2.240 7.029 1.00 0.00 C ATOM 567 OD1 ASN A 37 -2.137 -1.623 7.047 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.041 -1.915 7.801 1.00 0.00 N ATOM 0 H ASN A 37 -0.014 -1.088 4.145 1.00 0.00 H new ATOM 0 HA ASN A 37 0.944 -2.852 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.850 -3.821 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.360 -4.223 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.114 -1.126 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.823 -2.455 7.752 1.00 0.00 H new ATOM 575 N PHE A 38 0.009 -3.857 2.584 1.00 0.00 N ATOM 576 CA PHE A 38 0.022 -4.782 1.462 1.00 0.00 C ATOM 577 C PHE A 38 -1.351 -5.387 1.230 1.00 0.00 C ATOM 578 O PHE A 38 -1.478 -6.436 0.607 1.00 0.00 O ATOM 579 CB PHE A 38 1.095 -5.858 1.639 1.00 0.00 C ATOM 580 CG PHE A 38 2.471 -5.344 1.332 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.719 -4.677 0.141 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.509 -5.507 2.232 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.977 -4.186 -0.147 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.771 -5.019 1.949 1.00 0.00 C ATOM 585 CZ PHE A 38 5.005 -4.358 0.758 1.00 0.00 C ATOM 0 H PHE A 38 0.081 -2.881 2.298 1.00 0.00 H new ATOM 0 HA PHE A 38 0.280 -4.215 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.068 -6.230 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.871 -6.702 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.918 -4.540 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.332 -6.021 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.156 -3.669 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.574 -5.154 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.991 -3.977 0.536 1.00 0.00 H new ATOM 595 N ASN A 39 -2.383 -4.694 1.698 1.00 0.00 N ATOM 596 CA ASN A 39 -3.750 -5.151 1.505 1.00 0.00 C ATOM 597 C ASN A 39 -4.279 -4.637 0.176 1.00 0.00 C ATOM 598 O ASN A 39 -4.497 -3.438 0.001 1.00 0.00 O ATOM 599 CB ASN A 39 -4.643 -4.680 2.653 1.00 0.00 C ATOM 600 CG ASN A 39 -6.009 -5.339 2.634 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.290 -6.191 1.790 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.869 -4.946 3.567 1.00 0.00 N ATOM 0 H ASN A 39 -2.298 -3.817 2.212 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.759 -6.241 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.153 -4.895 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.764 -3.598 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.803 -5.353 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.595 -4.237 4.247 1.00 0.00 H new ATOM 609 N THR A 40 -4.455 -5.551 -0.764 1.00 0.00 N ATOM 610 CA THR A 40 -4.926 -5.202 -2.091 1.00 0.00 C ATOM 611 C THR A 40 -6.408 -4.884 -2.051 1.00 0.00 C ATOM 612 O THR A 40 -6.978 -4.359 -3.008 1.00 0.00 O ATOM 613 CB THR A 40 -4.670 -6.352 -3.083 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.803 -7.226 -3.131 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.437 -7.147 -2.678 1.00 0.00 C ATOM 0 H THR A 40 -4.277 -6.546 -0.629 1.00 0.00 H new ATOM 0 HA THR A 40 -4.376 -4.323 -2.427 1.00 0.00 H new ATOM 0 HB THR A 40 -4.504 -5.918 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.629 -7.952 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.274 -7.954 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.567 -6.490 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.585 -7.567 -1.683 1.00 0.00 H new ATOM 623 N GLN A 41 -7.021 -5.228 -0.931 1.00 0.00 N ATOM 624 CA GLN A 41 -8.440 -5.014 -0.726 1.00 0.00 C ATOM 625 C GLN A 41 -8.704 -3.947 0.339 1.00 0.00 C ATOM 626 O GLN A 41 -9.853 -3.692 0.698 1.00 0.00 O ATOM 627 CB GLN A 41 -9.083 -6.335 -0.316 1.00 0.00 C ATOM 628 CG GLN A 41 -9.613 -7.147 -1.486 1.00 0.00 C ATOM 629 CD GLN A 41 -11.108 -6.983 -1.678 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.906 -7.480 -0.883 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.496 -6.284 -2.739 1.00 0.00 N ATOM 0 H GLN A 41 -6.547 -5.663 -0.139 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.876 -4.655 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.350 -6.932 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.902 -6.131 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.098 -6.844 -2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.384 -8.201 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.800 -5.890 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.490 -6.142 -2.920 1.00 0.00 H new ATOM 640 N ALA A 42 -7.636 -3.339 0.848 1.00 0.00 N ATOM 641 CA ALA A 42 -7.756 -2.314 1.880 1.00 0.00 C ATOM 642 C ALA A 42 -8.404 -1.043 1.351 1.00 0.00 C ATOM 643 O ALA A 42 -8.081 -0.566 0.261 1.00 0.00 O ATOM 644 CB ALA A 42 -6.395 -1.988 2.466 1.00 0.00 C ATOM 0 H ALA A 42 -6.677 -3.539 0.562 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.401 -2.720 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.503 -1.222 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.965 -2.887 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.738 -1.621 1.678 1.00 0.00 H new ATOM 650 N THR A 43 -9.309 -0.493 2.150 1.00 0.00 N ATOM 651 CA THR A 43 -10.010 0.736 1.805 1.00 0.00 C ATOM 652 C THR A 43 -9.777 1.789 2.887 1.00 0.00 C ATOM 653 O THR A 43 -9.864 1.487 4.078 1.00 0.00 O ATOM 654 CB THR A 43 -11.525 0.496 1.661 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.176 0.692 2.922 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.806 -0.910 1.155 1.00 0.00 C ATOM 0 H THR A 43 -9.577 -0.885 3.053 1.00 0.00 H new ATOM 0 HA THR A 43 -9.618 1.084 0.849 1.00 0.00 H new ATOM 0 HB THR A 43 -11.914 1.211 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.139 0.539 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.882 -1.055 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.336 -1.047 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.402 -1.638 1.859 1.00 0.00 H new ATOM 664 N ASN A 44 -9.477 3.020 2.482 1.00 0.00 N ATOM 665 CA ASN A 44 -9.231 4.093 3.441 1.00 0.00 C ATOM 666 C ASN A 44 -10.072 5.325 3.116 1.00 0.00 C ATOM 667 O ASN A 44 -9.670 6.168 2.314 1.00 0.00 O ATOM 668 CB ASN A 44 -7.747 4.463 3.453 1.00 0.00 C ATOM 669 CG ASN A 44 -7.011 3.862 4.633 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.347 2.832 4.506 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.124 4.502 5.790 1.00 0.00 N ATOM 0 H ASN A 44 -9.399 3.298 1.504 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.519 3.733 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.283 4.122 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.646 5.548 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.650 4.144 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.684 5.352 5.850 1.00 0.00 H new ATOM 678 N ARG A 45 -11.239 5.418 3.744 1.00 0.00 N ATOM 679 CA ARG A 45 -12.140 6.545 3.522 1.00 0.00 C ATOM 680 C ARG A 45 -11.542 7.839 4.064 1.00 0.00 C ATOM 681 O ARG A 45 -11.133 7.908 5.223 1.00 0.00 O ATOM 682 CB ARG A 45 -13.496 6.279 4.180 1.00 0.00 C ATOM 683 CG ARG A 45 -13.390 5.782 5.612 1.00 0.00 C ATOM 684 CD ARG A 45 -13.749 4.308 5.718 1.00 0.00 C ATOM 685 NE ARG A 45 -14.731 4.057 6.768 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.952 3.580 6.539 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.337 3.304 5.300 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.787 3.380 7.548 1.00 0.00 N ATOM 0 H ARG A 45 -11.584 4.727 4.411 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.281 6.657 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.084 7.197 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.040 5.543 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.375 5.938 5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.053 6.366 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.144 3.962 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.848 3.729 5.919 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.466 4.259 7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.697 3.457 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.273 2.938 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.494 3.592 8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.723 3.014 7.371 1.00 0.00 H new ATOM 702 N ASN A 46 -11.501 8.864 3.218 1.00 0.00 N ATOM 703 CA ASN A 46 -10.956 10.159 3.609 1.00 0.00 C ATOM 704 C ASN A 46 -12.056 11.075 4.132 1.00 0.00 C ATOM 705 O ASN A 46 -13.231 10.708 4.147 1.00 0.00 O ATOM 706 CB ASN A 46 -10.249 10.819 2.425 1.00 0.00 C ATOM 707 CG ASN A 46 -9.449 9.829 1.603 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.489 9.849 0.372 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.714 8.954 2.280 1.00 0.00 N ATOM 0 H ASN A 46 -11.839 8.822 2.257 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.233 9.994 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.989 11.302 1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.585 11.602 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.154 8.264 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.710 8.972 3.300 1.00 0.00 H new ATOM 716 N THR A 47 -11.663 12.267 4.562 1.00 0.00 N ATOM 717 CA THR A 47 -12.610 13.241 5.090 1.00 0.00 C ATOM 718 C THR A 47 -13.002 14.268 4.033 1.00 0.00 C ATOM 719 O THR A 47 -13.649 15.269 4.340 1.00 0.00 O ATOM 720 CB THR A 47 -12.031 13.979 6.313 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.766 14.563 5.980 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.864 13.029 7.489 1.00 0.00 C ATOM 0 H THR A 47 -10.693 12.583 4.556 1.00 0.00 H new ATOM 0 HA THR A 47 -13.496 12.683 5.392 1.00 0.00 H new ATOM 0 HB THR A 47 -12.729 14.766 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.406 15.031 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.454 13.572 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.833 12.610 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.185 12.223 7.212 1.00 0.00 H new ATOM 730 N ASP A 48 -12.610 14.016 2.788 1.00 0.00 N ATOM 731 CA ASP A 48 -12.928 14.925 1.691 1.00 0.00 C ATOM 732 C ASP A 48 -13.884 14.273 0.696 1.00 0.00 C ATOM 733 O ASP A 48 -14.313 14.903 -0.270 1.00 0.00 O ATOM 734 CB ASP A 48 -11.651 15.373 0.981 1.00 0.00 C ATOM 735 CG ASP A 48 -11.041 14.277 0.130 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.346 13.407 0.695 1.00 0.00 O ATOM 737 OD2 ASP A 48 -11.260 14.291 -1.099 1.00 0.00 O ATOM 0 H ASP A 48 -12.073 13.193 2.514 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.422 15.800 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.873 16.235 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.923 15.699 1.723 1.00 0.00 H new ATOM 742 N GLY A 49 -14.222 13.010 0.945 1.00 0.00 N ATOM 743 CA GLY A 49 -15.136 12.300 0.067 1.00 0.00 C ATOM 744 C GLY A 49 -14.479 11.157 -0.684 1.00 0.00 C ATOM 745 O GLY A 49 -15.148 10.193 -1.060 1.00 0.00 O ATOM 0 H GLY A 49 -13.880 12.467 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.965 11.909 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.558 13.003 -0.651 1.00 0.00 H new ATOM 749 N SER A 50 -13.173 11.258 -0.909 1.00 0.00 N ATOM 750 CA SER A 50 -12.445 10.216 -1.626 1.00 0.00 C ATOM 751 C SER A 50 -12.151 9.029 -0.717 1.00 0.00 C ATOM 752 O SER A 50 -12.588 8.991 0.433 1.00 0.00 O ATOM 753 CB SER A 50 -11.141 10.765 -2.206 1.00 0.00 C ATOM 754 OG SER A 50 -10.605 11.786 -1.386 1.00 0.00 O ATOM 0 H SER A 50 -12.599 12.046 -0.607 1.00 0.00 H new ATOM 0 HA SER A 50 -13.078 9.876 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.416 9.957 -2.306 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.322 11.157 -3.207 1.00 0.00 H new ATOM 0 HG SER A 50 -10.861 12.661 -1.744 1.00 0.00 H new ATOM 760 N THR A 51 -11.403 8.064 -1.244 1.00 0.00 N ATOM 761 CA THR A 51 -11.042 6.869 -0.491 1.00 0.00 C ATOM 762 C THR A 51 -9.837 6.180 -1.128 1.00 0.00 C ATOM 763 O THR A 51 -9.493 6.459 -2.275 1.00 0.00 O ATOM 764 CB THR A 51 -12.216 5.874 -0.427 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.430 6.562 -0.103 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.958 4.785 0.605 1.00 0.00 C ATOM 0 H THR A 51 -11.034 8.088 -2.195 1.00 0.00 H new ATOM 0 HA THR A 51 -10.791 7.184 0.522 1.00 0.00 H new ATOM 0 HB THR A 51 -12.312 5.407 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.224 7.351 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.804 4.098 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.053 4.239 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.832 5.238 1.588 1.00 0.00 H new ATOM 774 N ASP A 52 -9.202 5.278 -0.387 1.00 0.00 N ATOM 775 CA ASP A 52 -8.044 4.549 -0.894 1.00 0.00 C ATOM 776 C ASP A 52 -8.367 3.069 -1.027 1.00 0.00 C ATOM 777 O ASP A 52 -8.136 2.286 -0.106 1.00 0.00 O ATOM 778 CB ASP A 52 -6.844 4.746 0.033 1.00 0.00 C ATOM 779 CG ASP A 52 -6.469 6.206 0.190 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.003 6.809 -0.800 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.640 6.747 1.303 1.00 0.00 O ATOM 0 H ASP A 52 -9.469 5.034 0.567 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.792 4.941 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.072 4.325 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.990 4.195 -0.360 1.00 0.00 H new ATOM 786 N TYR A 53 -8.912 2.696 -2.179 1.00 0.00 N ATOM 787 CA TYR A 53 -9.278 1.312 -2.431 1.00 0.00 C ATOM 788 C TYR A 53 -8.189 0.571 -3.199 1.00 0.00 C ATOM 789 O TYR A 53 -8.307 0.374 -4.405 1.00 0.00 O ATOM 790 CB TYR A 53 -10.577 1.233 -3.238 1.00 0.00 C ATOM 791 CG TYR A 53 -11.789 1.831 -2.560 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.388 1.201 -1.479 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.348 3.017 -3.019 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.507 1.736 -0.869 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.467 3.558 -2.417 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.043 2.914 -1.342 1.00 0.00 C ATOM 797 OH TYR A 53 -15.159 3.448 -0.741 1.00 0.00 O ATOM 0 H TYR A 53 -9.109 3.333 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.412 0.841 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.426 1.740 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.784 0.187 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.973 0.276 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.900 3.524 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.959 1.234 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.889 4.481 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.408 4.280 -1.194 1.00 0.00 H new ATOM 807 N GLY A 54 -7.117 0.176 -2.529 1.00 0.00 N ATOM 808 CA GLY A 54 -6.062 -0.535 -3.230 1.00 0.00 C ATOM 809 C GLY A 54 -4.794 -0.665 -2.417 1.00 0.00 C ATOM 810 O GLY A 54 -4.581 0.086 -1.465 1.00 0.00 O ATOM 0 H GLY A 54 -6.957 0.329 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.418 -1.530 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.838 -0.015 -4.161 1.00 0.00 H new ATOM 814 N ILE A 55 -3.932 -1.602 -2.810 1.00 0.00 N ATOM 815 CA ILE A 55 -2.663 -1.789 -2.124 1.00 0.00 C ATOM 816 C ILE A 55 -1.824 -0.537 -2.326 1.00 0.00 C ATOM 817 O ILE A 55 -0.966 -0.198 -1.511 1.00 0.00 O ATOM 818 CB ILE A 55 -1.891 -3.016 -2.654 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.695 -3.322 -1.751 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.431 -2.775 -4.083 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.087 -4.687 -1.995 1.00 0.00 C ATOM 0 H ILE A 55 -4.091 -2.236 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.863 -1.964 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.559 -3.877 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.069 -2.560 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.009 -3.254 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.888 -3.649 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.298 -2.599 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.776 -1.904 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.756 -4.836 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.837 -5.457 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.259 -4.752 -3.027 1.00 0.00 H new ATOM 833 N LEU A 56 -2.123 0.162 -3.420 1.00 0.00 N ATOM 834 CA LEU A 56 -1.453 1.407 -3.757 1.00 0.00 C ATOM 835 C LEU A 56 -2.427 2.563 -3.560 1.00 0.00 C ATOM 836 O LEU A 56 -2.134 3.705 -3.918 1.00 0.00 O ATOM 837 CB LEU A 56 -0.943 1.384 -5.207 1.00 0.00 C ATOM 838 CG LEU A 56 0.567 1.618 -5.384 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.044 2.763 -4.505 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.338 0.345 -5.069 1.00 0.00 C ATOM 0 H LEU A 56 -2.835 -0.122 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.590 1.534 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.197 0.420 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.479 2.145 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 56 0.753 1.890 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.115 2.909 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.514 3.676 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.846 2.526 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.405 0.525 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.142 0.047 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.020 -0.450 -5.744 1.00 0.00 H new ATOM 852 N GLN A 57 -3.590 2.247 -2.977 1.00 0.00 N ATOM 853 CA GLN A 57 -4.632 3.235 -2.703 1.00 0.00 C ATOM 854 C GLN A 57 -5.304 3.728 -3.980 1.00 0.00 C ATOM 855 O GLN A 57 -5.049 4.849 -4.423 1.00 0.00 O ATOM 856 CB GLN A 57 -4.053 4.421 -1.927 1.00 0.00 C ATOM 857 CG GLN A 57 -3.499 4.044 -0.564 1.00 0.00 C ATOM 858 CD GLN A 57 -3.352 5.239 0.357 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.869 5.244 1.474 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.644 6.262 -0.109 1.00 0.00 N ATOM 0 H GLN A 57 -3.831 1.300 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.392 2.742 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.260 4.879 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.830 5.174 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.157 3.310 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.528 3.566 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.233 6.215 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.511 7.094 0.466 1.00 0.00 H new ATOM 869 N ILE A 58 -6.168 2.900 -4.580 1.00 0.00 N ATOM 870 CA ILE A 58 -6.846 3.299 -5.796 1.00 0.00 C ATOM 871 C ILE A 58 -8.067 4.125 -5.456 1.00 0.00 C ATOM 872 O ILE A 58 -9.136 3.585 -5.170 1.00 0.00 O ATOM 873 CB ILE A 58 -7.265 2.081 -6.642 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.148 1.031 -6.662 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.617 2.515 -8.058 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.794 1.586 -7.054 1.00 0.00 C ATOM 0 H ILE A 58 -6.404 1.967 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.148 3.893 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.149 1.632 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.072 0.576 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.420 0.238 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.911 1.644 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.443 3.226 -8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.750 2.987 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.056 0.784 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.852 2.015 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.498 2.359 -6.345 1.00 0.00 H new ATOM 888 N ASN A 59 -7.909 5.440 -5.494 1.00 0.00 N ATOM 889 CA ASN A 59 -9.007 6.336 -5.194 1.00 0.00 C ATOM 890 C ASN A 59 -10.110 6.145 -6.216 1.00 0.00 C ATOM 891 O ASN A 59 -10.034 6.667 -7.328 1.00 0.00 O ATOM 892 CB ASN A 59 -8.522 7.785 -5.198 1.00 0.00 C ATOM 893 CG ASN A 59 -9.596 8.762 -4.757 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.731 8.375 -4.482 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.238 10.039 -4.684 1.00 0.00 N ATOM 0 H ASN A 59 -7.032 5.905 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.397 6.107 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.659 7.877 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.186 8.049 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.916 10.743 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.285 10.316 -4.921 1.00 0.00 H new ATOM 902 N SER A 60 -11.135 5.392 -5.843 1.00 0.00 N ATOM 903 CA SER A 60 -12.254 5.133 -6.741 1.00 0.00 C ATOM 904 C SER A 60 -13.013 6.413 -7.077 1.00 0.00 C ATOM 905 O SER A 60 -13.799 6.443 -8.023 1.00 0.00 O ATOM 906 CB SER A 60 -13.210 4.118 -6.111 1.00 0.00 C ATOM 907 OG SER A 60 -14.154 4.758 -5.271 1.00 0.00 O ATOM 0 H SER A 60 -11.216 4.950 -4.927 1.00 0.00 H new ATOM 0 HA SER A 60 -11.847 4.728 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.731 3.569 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.642 3.388 -5.534 1.00 0.00 H new ATOM 0 HG SER A 60 -14.085 4.394 -4.364 1.00 0.00 H new ATOM 913 N ARG A 61 -12.785 7.469 -6.302 1.00 0.00 N ATOM 914 CA ARG A 61 -13.463 8.738 -6.536 1.00 0.00 C ATOM 915 C ARG A 61 -12.541 9.723 -7.247 1.00 0.00 C ATOM 916 O ARG A 61 -12.714 10.938 -7.139 1.00 0.00 O ATOM 917 CB ARG A 61 -13.944 9.335 -5.212 1.00 0.00 C ATOM 918 CG ARG A 61 -15.181 10.208 -5.353 1.00 0.00 C ATOM 919 CD ARG A 61 -15.249 11.257 -4.254 1.00 0.00 C ATOM 920 NE ARG A 61 -14.188 12.254 -4.382 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.343 13.540 -4.082 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.512 13.984 -3.639 1.00 0.00 N ATOM 923 NH2 ARG A 61 -13.330 14.382 -4.225 1.00 0.00 N ATOM 0 H ARG A 61 -12.140 7.471 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.325 8.549 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.158 8.525 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.139 9.927 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.173 10.699 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.074 9.584 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.219 11.754 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.173 10.769 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.277 11.946 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.294 13.338 -3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.629 14.971 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.430 14.044 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.450 15.368 -3.995 1.00 0.00 H new ATOM 937 N TRP A 62 -11.557 9.193 -7.967 1.00 0.00 N ATOM 938 CA TRP A 62 -10.609 10.043 -8.683 1.00 0.00 C ATOM 939 C TRP A 62 -9.875 9.312 -9.810 1.00 0.00 C ATOM 940 O TRP A 62 -9.222 9.955 -10.632 1.00 0.00 O ATOM 941 CB TRP A 62 -9.590 10.628 -7.705 1.00 0.00 C ATOM 942 CG TRP A 62 -9.101 11.989 -8.097 1.00 0.00 C ATOM 943 CD1 TRP A 62 -7.968 12.281 -8.801 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.729 13.242 -7.808 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.853 13.640 -8.967 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.922 14.252 -8.366 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.895 13.611 -7.131 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.245 15.604 -8.269 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.215 14.951 -7.034 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.393 15.934 -7.601 1.00 0.00 C ATOM 0 H TRP A 62 -11.395 8.191 -8.070 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.193 10.838 -9.146 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.040 10.683 -6.714 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.738 9.952 -7.631 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.265 11.550 -9.173 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.096 14.116 -9.457 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.535 12.861 -6.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.613 16.363 -8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.114 15.246 -6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.671 16.974 -7.509 1.00 0.00 H new ATOM 961 N TRP A 63 -9.962 7.982 -9.858 1.00 0.00 N ATOM 962 CA TRP A 63 -9.273 7.232 -10.906 1.00 0.00 C ATOM 963 C TRP A 63 -10.144 6.140 -11.520 1.00 0.00 C ATOM 964 O TRP A 63 -9.775 5.559 -12.538 1.00 0.00 O ATOM 965 CB TRP A 63 -7.995 6.584 -10.365 1.00 0.00 C ATOM 966 CG TRP A 63 -7.003 7.552 -9.799 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.449 7.532 -8.550 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.439 8.679 -10.469 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.567 8.579 -8.409 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.546 9.298 -9.576 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.604 9.219 -11.740 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.820 10.436 -9.920 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.891 10.346 -12.083 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.006 10.947 -11.177 1.00 0.00 C ATOM 0 H TRP A 63 -10.491 7.412 -9.198 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.032 7.959 -11.682 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.266 5.866 -9.591 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.519 6.022 -11.169 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.671 6.802 -7.786 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.019 8.786 -7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.281 8.762 -12.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.137 10.898 -9.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.016 10.774 -13.067 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.460 11.830 -11.476 1.00 0.00 H new ATOM 985 N CYS A 64 -11.282 5.832 -10.912 1.00 0.00 N ATOM 986 CA CYS A 64 -12.124 4.776 -11.461 1.00 0.00 C ATOM 987 C CYS A 64 -13.603 5.089 -11.347 1.00 0.00 C ATOM 988 O CYS A 64 -14.041 5.783 -10.430 1.00 0.00 O ATOM 989 CB CYS A 64 -11.844 3.447 -10.749 1.00 0.00 C ATOM 990 SG CYS A 64 -12.922 3.131 -9.310 1.00 0.00 S ATOM 0 H CYS A 64 -11.636 6.280 -10.067 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.875 4.702 -12.520 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.962 2.632 -11.464 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.805 3.435 -10.421 1.00 0.00 H new ATOM 995 N ASN A 65 -14.374 4.545 -12.282 1.00 0.00 N ATOM 996 CA ASN A 65 -15.819 4.736 -12.284 1.00 0.00 C ATOM 997 C ASN A 65 -16.485 3.636 -11.466 1.00 0.00 C ATOM 998 O ASN A 65 -16.557 2.485 -11.898 1.00 0.00 O ATOM 999 CB ASN A 65 -16.357 4.727 -13.717 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.707 5.410 -13.830 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.669 5.024 -13.167 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.784 6.432 -14.675 1.00 0.00 N ATOM 0 H ASN A 65 -14.023 3.969 -13.047 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.047 5.703 -11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.644 5.226 -14.373 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.443 3.697 -14.064 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.666 6.930 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.961 6.719 -15.205 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.955 3.989 -10.275 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.594 3.021 -9.390 1.00 0.00 C ATOM 1011 C ASP A 66 -19.116 3.106 -9.466 1.00 0.00 C ATOM 1012 O ASP A 66 -19.813 2.163 -9.089 1.00 0.00 O ATOM 1013 CB ASP A 66 -17.129 3.233 -7.950 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.742 4.467 -7.318 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.702 5.542 -7.951 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.263 4.358 -6.187 1.00 0.00 O ATOM 0 H ASP A 66 -16.906 4.936 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.298 2.026 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.388 2.357 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.043 3.321 -7.932 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.630 4.229 -9.957 1.00 0.00 N ATOM 1022 CA GLY A 67 -21.067 4.398 -10.074 1.00 0.00 C ATOM 1023 C GLY A 67 -21.766 4.519 -8.730 1.00 0.00 C ATOM 1024 O GLY A 67 -22.946 4.866 -8.672 1.00 0.00 O ATOM 0 H GLY A 67 -19.077 5.025 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.275 5.289 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.483 3.550 -10.618 1.00 0.00 H new ATOM 1028 N ARG A 68 -21.044 4.229 -7.652 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.613 4.306 -6.310 1.00 0.00 C ATOM 1030 C ARG A 68 -21.294 5.645 -5.654 1.00 0.00 C ATOM 1031 O ARG A 68 -21.782 5.943 -4.564 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.084 3.161 -5.444 1.00 0.00 C ATOM 1033 CG ARG A 68 -22.075 2.021 -5.270 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.411 0.670 -5.476 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.922 -0.017 -6.659 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.669 -1.116 -6.608 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.990 -1.652 -5.438 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -23.096 -1.681 -7.729 1.00 0.00 N ATOM 0 H ARG A 68 -20.066 3.939 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.696 4.218 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.169 2.771 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.817 3.552 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.510 2.065 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.894 2.137 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.334 0.807 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.575 0.048 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.693 0.368 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.664 -1.221 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.563 -2.495 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.852 -1.273 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.669 -2.524 -7.689 1.00 0.00 H new ATOM 1052 N THR A 69 -20.472 6.447 -6.322 1.00 0.00 N ATOM 1053 CA THR A 69 -20.090 7.754 -5.801 1.00 0.00 C ATOM 1054 C THR A 69 -20.262 8.841 -6.859 1.00 0.00 C ATOM 1055 O THR A 69 -19.374 9.062 -7.682 1.00 0.00 O ATOM 1056 CB THR A 69 -18.629 7.757 -5.310 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.353 6.555 -4.583 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.361 8.964 -4.422 1.00 0.00 C ATOM 0 H THR A 69 -20.058 6.215 -7.225 1.00 0.00 H new ATOM 0 HA THR A 69 -20.750 7.964 -4.959 1.00 0.00 H new ATOM 0 HB THR A 69 -17.976 7.812 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.333 5.796 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.324 8.946 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.544 9.879 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.023 8.933 -3.556 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.414 9.536 -6.850 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.699 10.606 -7.813 1.00 0.00 C ATOM 1068 C PRO A 70 -20.615 11.678 -7.822 1.00 0.00 C ATOM 1069 O PRO A 70 -20.527 12.493 -6.903 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.026 11.191 -7.321 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.658 10.095 -6.535 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.527 9.335 -5.903 1.00 0.00 C ATOM 0 HA PRO A 70 -21.740 10.231 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.864 12.076 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.658 11.494 -8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.331 10.496 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.253 9.446 -7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.287 9.721 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.769 8.279 -5.784 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.792 11.672 -8.866 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.725 12.649 -8.975 1.00 0.00 C ATOM 1082 C GLY A 71 -17.416 12.031 -9.428 1.00 0.00 C ATOM 1083 O GLY A 71 -16.395 12.715 -9.508 1.00 0.00 O ATOM 0 H GLY A 71 -19.845 11.008 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.019 13.427 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.580 13.133 -8.009 1.00 0.00 H new ATOM 1087 N SER A 72 -17.444 10.735 -9.726 1.00 0.00 N ATOM 1088 CA SER A 72 -16.251 10.026 -10.174 1.00 0.00 C ATOM 1089 C SER A 72 -15.688 10.659 -11.442 1.00 0.00 C ATOM 1090 O SER A 72 -16.360 10.712 -12.472 1.00 0.00 O ATOM 1091 CB SER A 72 -16.572 8.552 -10.425 1.00 0.00 C ATOM 1092 OG SER A 72 -17.345 8.009 -9.368 1.00 0.00 O ATOM 0 H SER A 72 -18.281 10.155 -9.665 1.00 0.00 H new ATOM 0 HA SER A 72 -15.499 10.097 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.114 8.450 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.645 7.988 -10.529 1.00 0.00 H new ATOM 0 HG SER A 72 -17.092 7.073 -9.225 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.453 11.143 -11.358 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.801 11.778 -12.497 1.00 0.00 C ATOM 1100 C ARG A 73 -13.463 10.755 -13.577 1.00 0.00 C ATOM 1101 O ARG A 73 -13.638 11.019 -14.767 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.529 12.498 -12.046 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.650 14.014 -12.063 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.888 14.646 -10.909 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.448 16.003 -11.222 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.064 17.098 -10.787 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.142 16.996 -10.023 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.599 18.296 -11.115 1.00 0.00 N ATOM 0 H ARG A 73 -13.884 11.107 -10.512 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.495 12.505 -12.918 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.276 12.173 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.704 12.200 -12.693 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.268 14.400 -13.008 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.701 14.297 -12.005 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.523 14.666 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.022 14.031 -10.666 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.621 16.117 -11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.501 16.076 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.613 17.837 -9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.768 18.378 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.072 19.136 -10.781 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.967 9.594 -13.154 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.592 8.532 -14.086 1.00 0.00 C ATOM 1124 C ASN A 74 -11.418 8.995 -14.941 1.00 0.00 C ATOM 1125 O ASN A 74 -11.343 8.706 -16.136 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.779 8.152 -14.975 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.742 6.698 -15.400 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.304 5.828 -14.645 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.202 6.424 -16.616 1.00 0.00 N ATOM 0 H ASN A 74 -12.815 9.364 -12.172 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.297 7.650 -13.518 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.708 8.347 -14.439 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.783 8.787 -15.861 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.201 5.463 -16.957 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.556 7.175 -17.209 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.500 9.710 -14.302 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.308 10.226 -14.950 1.00 0.00 C ATOM 1138 C LEU A 75 -8.487 9.111 -15.546 1.00 0.00 C ATOM 1139 O LEU A 75 -7.835 9.258 -16.579 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.467 10.919 -13.900 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.703 12.423 -13.760 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.887 12.990 -12.608 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.368 13.143 -15.059 1.00 0.00 C ATOM 0 H LEU A 75 -10.566 9.948 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.607 10.907 -15.747 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.658 10.447 -12.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.415 10.753 -14.133 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.759 12.583 -13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.069 14.061 -12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.179 12.500 -11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.827 12.816 -12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.543 14.212 -14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.321 12.973 -15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.000 12.760 -15.860 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.524 8.011 -14.846 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.797 6.830 -15.211 1.00 0.00 C ATOM 1157 C CYS A 76 -8.698 5.902 -16.017 1.00 0.00 C ATOM 1158 O CYS A 76 -8.263 4.859 -16.508 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.328 6.197 -13.917 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.893 5.088 -14.048 1.00 0.00 S ATOM 0 H CYS A 76 -9.071 7.910 -13.991 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.937 7.052 -15.843 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.084 6.993 -13.213 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.158 5.636 -13.488 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.967 6.312 -16.131 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.974 5.540 -16.857 1.00 0.00 C ATOM 1167 C ASN A 77 -10.727 4.074 -16.580 1.00 0.00 C ATOM 1168 O ASN A 77 -10.526 3.267 -17.489 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.895 5.822 -18.360 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.265 5.954 -18.996 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.002 4.976 -19.118 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.613 7.168 -19.407 1.00 0.00 N ATOM 0 H ASN A 77 -10.319 7.179 -15.726 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.972 5.824 -16.524 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.331 6.740 -18.526 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.346 5.018 -18.850 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.523 7.317 -19.844 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.971 7.951 -19.286 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.668 3.766 -15.297 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.361 2.446 -14.847 1.00 0.00 C ATOM 1181 C ILE A 78 -11.482 1.777 -14.055 1.00 0.00 C ATOM 1182 O ILE A 78 -12.277 2.438 -13.391 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.097 2.521 -14.003 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.107 1.525 -14.526 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -9.371 2.304 -12.524 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -6.855 2.159 -15.085 1.00 0.00 C ATOM 0 H ILE A 78 -10.834 4.436 -14.546 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.223 1.822 -15.730 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.686 3.527 -14.085 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.832 0.842 -13.723 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.581 0.927 -15.304 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.436 2.368 -11.968 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.059 3.069 -12.165 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.814 1.319 -12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.183 1.380 -15.446 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.119 2.821 -15.910 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.358 2.734 -14.303 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.523 0.435 -14.101 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.488 -0.370 -13.379 1.00 0.00 C ATOM 1200 C PRO A 79 -11.900 -0.817 -12.045 1.00 0.00 C ATOM 1201 O PRO A 79 -10.961 -1.614 -12.011 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.683 -1.561 -14.315 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.386 -1.698 -15.062 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.599 -0.420 -14.850 1.00 0.00 C ATOM 0 HA PRO A 79 -13.416 0.150 -13.142 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.911 -2.468 -13.755 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.514 -1.391 -14.999 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.824 -2.559 -14.699 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.571 -1.862 -16.124 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.681 -0.603 -14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.311 0.035 -15.798 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.423 -0.280 -10.951 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.912 -0.608 -9.627 1.00 0.00 C ATOM 1214 C CYS A 80 -11.981 -2.108 -9.337 1.00 0.00 C ATOM 1215 O CYS A 80 -11.019 -2.691 -8.841 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.659 0.189 -8.560 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.886 1.798 -8.179 1.00 0.00 S ATOM 0 H CYS A 80 -13.198 0.383 -10.954 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.858 -0.330 -9.602 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.683 0.357 -8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.714 -0.404 -7.647 1.00 0.00 H new ATOM 1222 N SER A 81 -13.113 -2.732 -9.629 1.00 0.00 N ATOM 1223 CA SER A 81 -13.273 -4.163 -9.375 1.00 0.00 C ATOM 1224 C SER A 81 -12.213 -4.990 -10.107 1.00 0.00 C ATOM 1225 O SER A 81 -11.919 -6.118 -9.711 1.00 0.00 O ATOM 1226 CB SER A 81 -14.670 -4.621 -9.796 1.00 0.00 C ATOM 1227 OG SER A 81 -14.904 -4.353 -11.168 1.00 0.00 O ATOM 0 H SER A 81 -13.930 -2.278 -10.038 1.00 0.00 H new ATOM 0 HA SER A 81 -13.144 -4.323 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.778 -5.689 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.420 -4.113 -9.190 1.00 0.00 H new ATOM 0 HG SER A 81 -15.803 -4.657 -11.412 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.643 -4.432 -11.174 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.623 -5.136 -11.954 1.00 0.00 C ATOM 1235 C ALA A 82 -9.249 -5.045 -11.293 1.00 0.00 C ATOM 1236 O ALA A 82 -8.359 -5.847 -11.577 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.567 -4.582 -13.368 1.00 0.00 C ATOM 0 H ALA A 82 -11.868 -3.499 -11.518 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.902 -6.189 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.805 -5.114 -13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.536 -4.713 -13.849 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.320 -3.521 -13.334 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.090 -4.071 -10.406 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.823 -3.888 -9.699 1.00 0.00 C ATOM 1245 C LEU A 83 -7.896 -4.490 -8.303 1.00 0.00 C ATOM 1246 O LEU A 83 -6.900 -4.536 -7.582 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.418 -2.408 -9.620 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.558 -1.399 -9.474 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.667 -0.921 -8.035 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.343 -0.220 -10.411 1.00 0.00 C ATOM 0 H LEU A 83 -9.815 -3.398 -10.158 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.056 -4.410 -10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.741 -2.283 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.854 -2.159 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.492 -1.892 -9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.483 -0.204 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.863 -1.772 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.733 -0.444 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.162 0.490 -10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.401 0.271 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.312 -0.575 -11.441 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.086 -4.947 -7.926 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.299 -5.544 -6.616 1.00 0.00 C ATOM 1264 C LEU A 84 -9.705 -7.005 -6.746 1.00 0.00 C ATOM 1265 O LEU A 84 -10.570 -7.494 -6.017 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.367 -4.755 -5.868 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.234 -3.245 -6.024 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.580 -2.562 -5.840 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.209 -2.694 -5.044 1.00 0.00 C ATOM 0 H LEU A 84 -9.919 -4.914 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.366 -5.508 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.350 -5.063 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.318 -5.008 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.886 -3.036 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.460 -1.485 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.281 -2.932 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.965 -2.779 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.128 -1.614 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.524 -2.917 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.240 -3.155 -5.234 1.00 0.00 H new ATOM 1281 N SER A 85 -9.060 -7.698 -7.675 1.00 0.00 N ATOM 1282 CA SER A 85 -9.337 -9.114 -7.904 1.00 0.00 C ATOM 1283 C SER A 85 -8.098 -9.955 -7.643 1.00 0.00 C ATOM 1284 O SER A 85 -7.822 -10.930 -8.343 1.00 0.00 O ATOM 1285 CB SER A 85 -9.853 -9.345 -9.327 1.00 0.00 C ATOM 1286 OG SER A 85 -10.993 -10.186 -9.325 1.00 0.00 O ATOM 0 H SER A 85 -8.341 -7.305 -8.283 1.00 0.00 H new ATOM 0 HA SER A 85 -10.114 -9.423 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.103 -8.389 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.067 -9.794 -9.934 1.00 0.00 H new ATOM 0 HG SER A 85 -11.305 -10.317 -10.245 1.00 0.00 H new ATOM 1292 N SER A 86 -7.358 -9.539 -6.632 1.00 0.00 N ATOM 1293 CA SER A 86 -6.119 -10.198 -6.230 1.00 0.00 C ATOM 1294 C SER A 86 -5.074 -9.939 -7.289 1.00 0.00 C ATOM 1295 O SER A 86 -4.135 -10.711 -7.482 1.00 0.00 O ATOM 1296 CB SER A 86 -6.330 -11.704 -6.040 1.00 0.00 C ATOM 1297 OG SER A 86 -6.414 -12.038 -4.664 1.00 0.00 O ATOM 0 H SER A 86 -7.597 -8.729 -6.060 1.00 0.00 H new ATOM 0 HA SER A 86 -5.789 -9.794 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.243 -12.014 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.507 -12.251 -6.501 1.00 0.00 H new ATOM 0 HG SER A 86 -7.066 -12.760 -4.542 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.295 -8.847 -7.998 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.444 -8.440 -9.091 1.00 0.00 C ATOM 1305 C ASP A 87 -4.061 -6.973 -8.968 1.00 0.00 C ATOM 1306 O ASP A 87 -4.930 -6.104 -8.903 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.221 -8.669 -10.375 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.347 -8.624 -11.613 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.275 -9.264 -11.606 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.735 -7.950 -12.590 1.00 0.00 O ATOM 0 H ASP A 87 -6.078 -8.216 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.520 -9.018 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.719 -9.637 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.002 -7.913 -10.460 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.761 -6.688 -8.945 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.297 -5.312 -8.838 1.00 0.00 C ATOM 1317 C ILE A 88 -2.073 -4.705 -10.211 1.00 0.00 C ATOM 1318 O ILE A 88 -1.824 -3.510 -10.328 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.989 -5.196 -8.031 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.130 -6.452 -8.197 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.298 -4.945 -6.566 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.359 -6.171 -8.202 1.00 0.00 C ATOM 0 H ILE A 88 -2.019 -7.386 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.081 -4.768 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.420 -4.350 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.358 -7.147 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.401 -6.947 -9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.366 -4.865 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.862 -4.017 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.888 -5.772 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.905 -7.106 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.600 -5.500 -9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.644 -5.704 -7.259 1.00 0.00 H new ATOM 1334 N THR A 89 -2.151 -5.533 -11.250 1.00 0.00 N ATOM 1335 CA THR A 89 -1.947 -5.066 -12.616 1.00 0.00 C ATOM 1336 C THR A 89 -2.723 -3.782 -12.884 1.00 0.00 C ATOM 1337 O THR A 89 -2.150 -2.780 -13.308 1.00 0.00 O ATOM 1338 CB THR A 89 -2.372 -6.132 -13.643 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.956 -7.430 -13.203 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.768 -5.838 -15.009 1.00 0.00 C ATOM 0 H THR A 89 -2.354 -6.529 -11.171 1.00 0.00 H new ATOM 0 HA THR A 89 -0.880 -4.870 -12.725 1.00 0.00 H new ATOM 0 HB THR A 89 -3.458 -6.108 -13.730 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.231 -8.102 -13.861 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.082 -6.604 -15.718 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.108 -4.862 -15.355 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.681 -5.837 -14.933 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.031 -3.820 -12.647 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.880 -2.670 -12.871 1.00 0.00 C ATOM 1350 C ALA A 90 -4.510 -1.503 -11.954 1.00 0.00 C ATOM 1351 O ALA A 90 -4.448 -0.354 -12.393 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.341 -3.050 -12.690 1.00 0.00 C ATOM 0 H ALA A 90 -4.522 -4.643 -12.298 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.725 -2.339 -13.898 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.968 -2.175 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.605 -3.831 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.499 -3.416 -11.676 1.00 0.00 H new ATOM 1358 N SER A 91 -4.256 -1.806 -10.681 1.00 0.00 N ATOM 1359 CA SER A 91 -3.884 -0.780 -9.710 1.00 0.00 C ATOM 1360 C SER A 91 -2.566 -0.128 -10.087 1.00 0.00 C ATOM 1361 O SER A 91 -2.360 1.068 -9.863 1.00 0.00 O ATOM 1362 CB SER A 91 -3.778 -1.385 -8.307 1.00 0.00 C ATOM 1363 OG SER A 91 -5.054 -1.739 -7.805 1.00 0.00 O ATOM 0 H SER A 91 -4.301 -2.751 -10.300 1.00 0.00 H new ATOM 0 HA SER A 91 -4.663 -0.018 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.138 -2.267 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.305 -0.670 -7.634 1.00 0.00 H new ATOM 0 HG SER A 91 -4.958 -2.124 -6.909 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.673 -0.916 -10.663 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.382 -0.398 -11.061 1.00 0.00 C ATOM 1371 C VAL A 92 -0.492 0.411 -12.334 1.00 0.00 C ATOM 1372 O VAL A 92 -0.035 1.536 -12.378 1.00 0.00 O ATOM 1373 CB VAL A 92 0.686 -1.483 -11.267 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.929 -0.867 -11.906 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.029 -2.157 -9.947 1.00 0.00 C ATOM 0 H VAL A 92 -1.819 -1.906 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.062 0.230 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 92 0.291 -2.248 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.684 -1.639 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.665 -0.432 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.326 -0.089 -11.254 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.787 -2.922 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.412 -1.414 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.134 -2.619 -9.531 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.100 -0.159 -13.365 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.252 0.536 -14.616 1.00 0.00 C ATOM 1387 C ASN A 93 -1.689 1.973 -14.372 1.00 0.00 C ATOM 1388 O ASN A 93 -1.172 2.911 -14.983 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.241 -0.208 -15.495 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.461 0.613 -15.859 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.541 0.413 -15.308 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.294 1.542 -16.795 1.00 0.00 N ATOM 0 H ASN A 93 -1.493 -1.100 -13.351 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.294 0.569 -15.134 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.738 -0.522 -16.410 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.562 -1.114 -14.981 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.081 2.124 -17.082 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.379 1.673 -17.226 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.625 2.134 -13.446 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.117 3.450 -13.090 1.00 0.00 C ATOM 1401 C CYS A 94 -2.006 4.279 -12.455 1.00 0.00 C ATOM 1402 O CYS A 94 -1.796 5.432 -12.830 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.303 3.338 -12.136 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.363 4.815 -12.106 1.00 0.00 S ATOM 0 H CYS A 94 -3.056 1.367 -12.930 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.450 3.950 -14.000 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.906 2.475 -12.420 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.931 3.149 -11.129 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.290 3.688 -11.494 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.200 4.397 -10.826 1.00 0.00 C ATOM 1411 C ALA A 95 0.956 4.627 -11.784 1.00 0.00 C ATOM 1412 O ALA A 95 1.563 5.688 -11.778 1.00 0.00 O ATOM 1413 CB ALA A 95 0.268 3.661 -9.596 1.00 0.00 C ATOM 0 H ALA A 95 -1.444 2.734 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.584 5.365 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.079 4.217 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.560 3.563 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.624 2.670 -9.878 1.00 0.00 H new ATOM 1419 N LYS A 96 1.241 3.640 -12.628 1.00 0.00 N ATOM 1420 CA LYS A 96 2.299 3.774 -13.611 1.00 0.00 C ATOM 1421 C LYS A 96 2.058 5.089 -14.339 1.00 0.00 C ATOM 1422 O LYS A 96 2.979 5.827 -14.690 1.00 0.00 O ATOM 1423 CB LYS A 96 2.269 2.606 -14.599 1.00 0.00 C ATOM 1424 CG LYS A 96 3.530 2.487 -15.439 1.00 0.00 C ATOM 1425 CD LYS A 96 3.286 1.672 -16.699 1.00 0.00 C ATOM 1426 CE LYS A 96 4.418 0.693 -16.958 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.926 -0.706 -17.092 1.00 0.00 N ATOM 0 H LYS A 96 0.754 2.744 -12.648 1.00 0.00 H new ATOM 0 HA LYS A 96 3.277 3.765 -13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.121 1.678 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.411 2.723 -15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.883 3.482 -15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.318 2.020 -14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.347 1.127 -16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.181 2.342 -17.552 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.945 0.981 -17.868 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.138 0.747 -16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.351 -1.296 -16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.891 -0.721 -16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.192 -1.080 -18.025 1.00 0.00 H new ATOM 1441 N LYS A 97 0.768 5.370 -14.493 1.00 0.00 N ATOM 1442 CA LYS A 97 0.303 6.599 -15.114 1.00 0.00 C ATOM 1443 C LYS A 97 0.345 7.732 -14.095 1.00 0.00 C ATOM 1444 O LYS A 97 0.632 8.879 -14.439 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.116 6.427 -15.658 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.529 7.516 -16.635 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.042 7.607 -16.761 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.461 8.822 -17.572 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.675 9.475 -17.009 1.00 0.00 N ATOM 0 H LYS A 97 0.017 4.750 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 97 0.959 6.842 -15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.192 5.459 -16.153 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.817 6.414 -14.823 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.132 8.475 -16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.093 7.313 -17.613 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.424 6.703 -17.235 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.488 7.659 -15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.642 9.541 -17.599 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.655 8.522 -18.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.927 10.299 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.464 8.798 -17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.482 9.785 -16.035 1.00 0.00 H new ATOM 1463 N ILE A 98 0.078 7.395 -12.833 1.00 0.00 N ATOM 1464 CA ILE A 98 0.107 8.379 -11.761 1.00 0.00 C ATOM 1465 C ILE A 98 1.502 8.988 -11.646 1.00 0.00 C ATOM 1466 O ILE A 98 1.667 10.209 -11.628 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.305 7.771 -10.402 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.780 7.359 -10.431 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.062 8.771 -9.278 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.233 6.631 -9.183 1.00 0.00 C ATOM 0 H ILE A 98 -0.160 6.450 -12.533 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.617 9.153 -12.013 1.00 0.00 H new ATOM 0 HB ILE A 98 0.304 6.886 -10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.394 8.249 -10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.953 6.720 -11.297 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.357 8.328 -8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.996 9.031 -9.245 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.651 9.670 -9.458 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.287 6.371 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.645 5.722 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.093 7.275 -8.315 1.00 0.00 H new ATOM 1482 N VAL A 99 2.500 8.114 -11.565 1.00 0.00 N ATOM 1483 CA VAL A 99 3.889 8.529 -11.446 1.00 0.00 C ATOM 1484 C VAL A 99 4.421 9.083 -12.764 1.00 0.00 C ATOM 1485 O VAL A 99 5.363 9.876 -12.776 1.00 0.00 O ATOM 1486 CB VAL A 99 4.782 7.369 -10.967 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.247 6.511 -12.134 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.966 7.904 -10.179 1.00 0.00 C ATOM 0 H VAL A 99 2.367 7.103 -11.580 1.00 0.00 H new ATOM 0 HA VAL A 99 3.920 9.323 -10.700 1.00 0.00 H new ATOM 0 HB VAL A 99 4.189 6.733 -10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.875 5.701 -11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.380 6.093 -12.646 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.819 7.124 -12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.588 7.073 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.555 8.567 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.606 8.457 -9.311 1.00 0.00 H new ATOM 1498 N SER A 100 3.801 8.683 -13.874 1.00 0.00 N ATOM 1499 CA SER A 100 4.210 9.168 -15.187 1.00 0.00 C ATOM 1500 C SER A 100 3.540 10.507 -15.481 1.00 0.00 C ATOM 1501 O SER A 100 3.873 11.184 -16.455 1.00 0.00 O ATOM 1502 CB SER A 100 3.851 8.154 -16.274 1.00 0.00 C ATOM 1503 OG SER A 100 4.944 7.296 -16.553 1.00 0.00 O ATOM 0 H SER A 100 3.019 8.029 -13.888 1.00 0.00 H new ATOM 0 HA SER A 100 5.292 9.302 -15.184 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.993 7.563 -15.955 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.556 8.679 -17.182 1.00 0.00 H new ATOM 0 HG SER A 100 4.688 6.656 -17.250 1.00 0.00 H new ATOM 1509 N ASP A 101 2.594 10.877 -14.623 1.00 0.00 N ATOM 1510 CA ASP A 101 1.866 12.133 -14.772 1.00 0.00 C ATOM 1511 C ASP A 101 2.486 13.228 -13.910 1.00 0.00 C ATOM 1512 O ASP A 101 2.077 14.388 -13.976 1.00 0.00 O ATOM 1513 CB ASP A 101 0.396 11.944 -14.395 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.534 12.774 -15.258 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.417 14.016 -15.232 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.379 12.180 -15.961 1.00 0.00 O ATOM 0 H ASP A 101 2.313 10.323 -13.814 1.00 0.00 H new ATOM 0 HA ASP A 101 1.930 12.437 -15.817 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.132 10.891 -14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.254 12.215 -13.349 1.00 0.00 H new ATOM 1521 N GLY A 102 3.477 12.854 -13.104 1.00 0.00 N ATOM 1522 CA GLY A 102 4.137 13.819 -12.244 1.00 0.00 C ATOM 1523 C GLY A 102 4.040 13.457 -10.775 1.00 0.00 C ATOM 1524 O GLY A 102 4.902 13.829 -9.979 1.00 0.00 O ATOM 0 H GLY A 102 3.833 11.901 -13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.187 13.893 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.694 14.802 -12.402 1.00 0.00 H new ATOM 1528 N ASN A 103 2.986 12.731 -10.412 1.00 0.00 N ATOM 1529 CA ASN A 103 2.778 12.321 -9.027 1.00 0.00 C ATOM 1530 C ASN A 103 3.672 11.137 -8.668 1.00 0.00 C ATOM 1531 O ASN A 103 3.320 9.984 -8.916 1.00 0.00 O ATOM 1532 CB ASN A 103 1.311 11.958 -8.796 1.00 0.00 C ATOM 1533 CG ASN A 103 0.444 13.178 -8.556 1.00 0.00 C ATOM 1534 OD1 ASN A 103 -0.506 13.434 -9.296 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.768 13.940 -7.517 1.00 0.00 N ATOM 0 H ASN A 103 2.263 12.415 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 103 3.043 13.159 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.934 11.412 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.236 11.288 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.221 14.775 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.564 13.690 -6.930 1.00 0.00 H new ATOM 1542 N GLY A 104 4.825 11.432 -8.075 1.00 0.00 N ATOM 1543 CA GLY A 104 5.749 10.382 -7.685 1.00 0.00 C ATOM 1544 C GLY A 104 5.298 9.649 -6.438 1.00 0.00 C ATOM 1545 O GLY A 104 4.102 9.538 -6.177 1.00 0.00 O ATOM 0 H GLY A 104 5.136 12.379 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.852 9.670 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.734 10.815 -7.512 1.00 0.00 H new ATOM 1549 N MET A 105 6.259 9.169 -5.653 1.00 0.00 N ATOM 1550 CA MET A 105 5.961 8.462 -4.417 1.00 0.00 C ATOM 1551 C MET A 105 5.445 9.451 -3.396 1.00 0.00 C ATOM 1552 O MET A 105 4.959 9.080 -2.327 1.00 0.00 O ATOM 1553 CB MET A 105 7.216 7.770 -3.882 1.00 0.00 C ATOM 1554 CG MET A 105 8.166 7.300 -4.970 1.00 0.00 C ATOM 1555 SD MET A 105 7.422 6.069 -6.055 1.00 0.00 S ATOM 1556 CE MET A 105 6.485 5.107 -4.872 1.00 0.00 C ATOM 0 H MET A 105 7.255 9.259 -5.855 1.00 0.00 H new ATOM 0 HA MET A 105 5.205 7.702 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.745 8.457 -3.222 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.918 6.913 -3.278 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.485 8.157 -5.564 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.060 6.880 -4.510 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.338 4.098 -5.258 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.030 5.059 -3.929 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.516 5.577 -4.707 1.00 0.00 H new ATOM 1566 N ASN A 106 5.560 10.721 -3.750 1.00 0.00 N ATOM 1567 CA ASN A 106 5.119 11.805 -2.904 1.00 0.00 C ATOM 1568 C ASN A 106 3.597 11.882 -2.862 1.00 0.00 C ATOM 1569 O ASN A 106 3.015 12.248 -1.841 1.00 0.00 O ATOM 1570 CB ASN A 106 5.706 13.111 -3.430 1.00 0.00 C ATOM 1571 CG ASN A 106 7.040 13.447 -2.794 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.135 14.347 -1.959 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.082 12.723 -3.187 1.00 0.00 N ATOM 0 H ASN A 106 5.964 11.024 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 106 5.466 11.629 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.830 13.040 -4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.003 13.923 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.006 12.904 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.958 11.986 -3.882 1.00 0.00 H new ATOM 1580 N ALA A 107 2.956 11.527 -3.975 1.00 0.00 N ATOM 1581 CA ALA A 107 1.499 11.551 -4.056 1.00 0.00 C ATOM 1582 C ALA A 107 0.894 10.750 -2.912 1.00 0.00 C ATOM 1583 O ALA A 107 -0.040 11.200 -2.247 1.00 0.00 O ATOM 1584 CB ALA A 107 1.033 11.001 -5.395 1.00 0.00 C ATOM 0 H ALA A 107 3.422 11.221 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 107 1.163 12.584 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.056 11.026 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.443 11.610 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.377 9.973 -5.506 1.00 0.00 H new ATOM 1590 N TRP A 108 1.443 9.563 -2.684 1.00 0.00 N ATOM 1591 CA TRP A 108 0.974 8.695 -1.615 1.00 0.00 C ATOM 1592 C TRP A 108 1.542 9.167 -0.276 1.00 0.00 C ATOM 1593 O TRP A 108 2.746 9.382 -0.139 1.00 0.00 O ATOM 1594 CB TRP A 108 1.361 7.243 -1.911 1.00 0.00 C ATOM 1595 CG TRP A 108 0.781 6.743 -3.206 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.478 6.251 -3.403 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.433 6.697 -4.483 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.648 5.900 -4.723 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.510 6.164 -5.407 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.706 7.054 -4.934 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.824 5.983 -6.756 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.014 6.874 -6.269 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.078 6.345 -7.166 1.00 0.00 C ATOM 0 H TRP A 108 2.216 9.180 -3.228 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.113 8.744 -1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.447 7.160 -1.948 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.020 6.606 -1.095 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.231 6.152 -2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.498 5.507 -5.127 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.436 7.463 -4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.104 5.573 -7.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.996 7.147 -6.627 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.352 6.220 -8.203 1.00 0.00 H new ATOM 1614 N VAL A 109 0.652 9.370 0.692 1.00 0.00 N ATOM 1615 CA VAL A 109 1.032 9.870 2.013 1.00 0.00 C ATOM 1616 C VAL A 109 1.776 8.850 2.867 1.00 0.00 C ATOM 1617 O VAL A 109 2.547 9.227 3.750 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.186 10.341 2.802 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.131 11.614 3.572 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.393 10.542 1.896 1.00 0.00 C ATOM 0 H VAL A 109 -0.347 9.194 0.585 1.00 0.00 H new ATOM 0 HA VAL A 109 1.706 10.701 1.807 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.439 9.560 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.751 11.932 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.949 11.425 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.423 12.398 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.243 10.877 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.160 11.292 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.642 9.600 1.407 1.00 0.00 H new ATOM 1630 N ALA A 110 1.556 7.569 2.620 1.00 0.00 N ATOM 1631 CA ALA A 110 2.228 6.533 3.397 1.00 0.00 C ATOM 1632 C ALA A 110 3.719 6.517 3.103 1.00 0.00 C ATOM 1633 O ALA A 110 4.520 6.078 3.928 1.00 0.00 O ATOM 1634 CB ALA A 110 1.614 5.172 3.119 1.00 0.00 C ATOM 0 H ALA A 110 0.926 7.221 1.897 1.00 0.00 H new ATOM 0 HA ALA A 110 2.093 6.762 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.129 4.413 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.558 5.187 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.713 4.938 2.059 1.00 0.00 H new ATOM 1640 N TRP A 111 4.085 7.014 1.932 1.00 0.00 N ATOM 1641 CA TRP A 111 5.485 7.068 1.550 1.00 0.00 C ATOM 1642 C TRP A 111 6.124 8.344 2.084 1.00 0.00 C ATOM 1643 O TRP A 111 7.289 8.342 2.477 1.00 0.00 O ATOM 1644 CB TRP A 111 5.650 6.973 0.030 1.00 0.00 C ATOM 1645 CG TRP A 111 7.083 6.964 -0.410 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.852 5.867 -0.673 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.922 8.105 -0.632 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.115 6.255 -1.049 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.183 7.623 -1.032 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.728 9.485 -0.536 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.244 8.474 -1.333 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.781 10.329 -0.835 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.026 9.821 -1.229 1.00 0.00 C ATOM 0 H TRP A 111 3.437 7.383 1.236 1.00 0.00 H new ATOM 0 HA TRP A 111 5.993 6.210 1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.162 6.066 -0.326 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.139 7.814 -0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.516 4.843 -0.597 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.878 5.627 -1.300 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.772 9.886 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.204 8.085 -1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.642 11.398 -0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.830 10.506 -1.455 1.00 0.00 H new ATOM 1664 N ARG A 112 5.360 9.435 2.120 1.00 0.00 N ATOM 1665 CA ARG A 112 5.869 10.698 2.638 1.00 0.00 C ATOM 1666 C ARG A 112 5.545 10.841 4.120 1.00 0.00 C ATOM 1667 O ARG A 112 5.106 11.899 4.572 1.00 0.00 O ATOM 1668 CB ARG A 112 5.254 11.860 1.875 1.00 0.00 C ATOM 1669 CG ARG A 112 6.128 12.386 0.748 1.00 0.00 C ATOM 1670 CD ARG A 112 6.917 13.611 1.180 1.00 0.00 C ATOM 1671 NE ARG A 112 6.060 14.778 1.362 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.740 15.281 2.552 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.206 14.721 3.659 1.00 0.00 N ATOM 1674 NH2 ARG A 112 4.954 16.346 2.633 1.00 0.00 N ATOM 0 H ARG A 112 4.393 9.467 1.798 1.00 0.00 H new ATOM 0 HA ARG A 112 6.951 10.708 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.296 11.545 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.049 12.672 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.816 11.605 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.505 12.637 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.439 13.396 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.679 13.834 0.433 1.00 0.00 H new ATOM 0 HE ARG A 112 5.685 15.234 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.812 13.902 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.959 15.109 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.594 16.780 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.709 16.731 3.545 1.00 0.00 H new ATOM 1688 N ASN A 113 5.772 9.779 4.872 1.00 0.00 N ATOM 1689 CA ASN A 113 5.512 9.791 6.305 1.00 0.00 C ATOM 1690 C ASN A 113 6.416 8.803 7.029 1.00 0.00 C ATOM 1691 O ASN A 113 7.229 9.185 7.870 1.00 0.00 O ATOM 1692 CB ASN A 113 4.045 9.454 6.581 1.00 0.00 C ATOM 1693 CG ASN A 113 3.275 10.636 7.140 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.685 11.787 6.987 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.152 10.357 7.789 1.00 0.00 N ATOM 0 H ASN A 113 6.136 8.895 4.516 1.00 0.00 H new ATOM 0 HA ASN A 113 5.725 10.792 6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.572 9.120 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.992 8.624 7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.591 11.111 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.850 9.388 7.892 1.00 0.00 H new ATOM 1702 N ARG A 114 6.258 7.530 6.699 1.00 0.00 N ATOM 1703 CA ARG A 114 7.046 6.474 7.316 1.00 0.00 C ATOM 1704 C ARG A 114 8.117 5.945 6.367 1.00 0.00 C ATOM 1705 O ARG A 114 8.814 4.981 6.684 1.00 0.00 O ATOM 1706 CB ARG A 114 6.133 5.332 7.748 1.00 0.00 C ATOM 1707 CG ARG A 114 5.615 5.468 9.172 1.00 0.00 C ATOM 1708 CD ARG A 114 6.524 4.763 10.165 1.00 0.00 C ATOM 1709 NE ARG A 114 5.770 4.132 11.245 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.256 3.166 12.018 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.491 2.721 11.832 1.00 0.00 N ATOM 1712 NH2 ARG A 114 5.506 2.644 12.979 1.00 0.00 N ATOM 0 H ARG A 114 5.588 7.202 6.004 1.00 0.00 H new ATOM 0 HA ARG A 114 7.547 6.897 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.285 5.279 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.675 4.391 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.538 6.523 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.610 5.050 9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.113 4.008 9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.228 5.481 10.586 1.00 0.00 H new ATOM 0 HE ARG A 114 4.816 4.451 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.071 3.120 11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.861 1.980 12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.555 2.984 13.125 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.880 1.903 13.572 1.00 0.00 H new ATOM 1726 N CYS A 115 8.234 6.566 5.199 1.00 0.00 N ATOM 1727 CA CYS A 115 9.213 6.132 4.209 1.00 0.00 C ATOM 1728 C CYS A 115 10.267 7.202 3.945 1.00 0.00 C ATOM 1729 O CYS A 115 11.464 6.913 3.952 1.00 0.00 O ATOM 1730 CB CYS A 115 8.512 5.755 2.908 1.00 0.00 C ATOM 1731 SG CYS A 115 7.641 4.162 2.984 1.00 0.00 S ATOM 0 H CYS A 115 7.668 7.366 4.915 1.00 0.00 H new ATOM 0 HA CYS A 115 9.724 5.258 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.798 6.537 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.249 5.718 2.106 1.00 0.00 H new ATOM 1736 N LYS A 116 9.825 8.431 3.707 1.00 0.00 N ATOM 1737 CA LYS A 116 10.744 9.529 3.436 1.00 0.00 C ATOM 1738 C LYS A 116 11.640 9.801 4.640 1.00 0.00 C ATOM 1739 O LYS A 116 11.311 10.620 5.499 1.00 0.00 O ATOM 1740 CB LYS A 116 9.968 10.795 3.067 1.00 0.00 C ATOM 1741 CG LYS A 116 10.857 11.959 2.663 1.00 0.00 C ATOM 1742 CD LYS A 116 10.387 12.595 1.363 1.00 0.00 C ATOM 1743 CE LYS A 116 11.231 13.805 0.998 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.642 13.431 0.704 1.00 0.00 N ATOM 0 H LYS A 116 8.839 8.692 3.696 1.00 0.00 H new ATOM 0 HA LYS A 116 11.374 9.240 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.287 10.567 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.355 11.095 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.860 12.708 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.884 11.611 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.435 11.860 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.343 12.894 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.798 14.300 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.209 14.523 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.150 14.258 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.104 13.107 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.659 12.666 -0.001 1.00 0.00 H new ATOM 1758 N GLY A 117 12.775 9.110 4.696 1.00 0.00 N ATOM 1759 CA GLY A 117 13.699 9.295 5.798 1.00 0.00 C ATOM 1760 C GLY A 117 14.354 8.001 6.242 1.00 0.00 C ATOM 1761 O GLY A 117 15.170 8.001 7.164 1.00 0.00 O ATOM 0 H GLY A 117 13.070 8.427 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.472 10.005 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.167 9.735 6.641 1.00 0.00 H new ATOM 1765 N THR A 118 14.003 6.895 5.589 1.00 0.00 N ATOM 1766 CA THR A 118 14.570 5.596 5.931 1.00 0.00 C ATOM 1767 C THR A 118 15.355 5.017 4.754 1.00 0.00 C ATOM 1768 O THR A 118 15.948 5.760 3.972 1.00 0.00 O ATOM 1769 CB THR A 118 13.471 4.600 6.349 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.526 4.436 5.285 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.753 5.082 7.601 1.00 0.00 C ATOM 0 H THR A 118 13.330 6.874 4.822 1.00 0.00 H new ATOM 0 HA THR A 118 15.245 5.750 6.773 1.00 0.00 H new ATOM 0 HB THR A 118 13.943 3.642 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.155 5.309 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.982 4.363 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.469 5.178 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.293 6.051 7.406 1.00 0.00 H new ATOM 1779 N ASP A 119 15.361 3.690 4.632 1.00 0.00 N ATOM 1780 CA ASP A 119 16.078 3.029 3.549 1.00 0.00 C ATOM 1781 C ASP A 119 15.226 1.959 2.876 1.00 0.00 C ATOM 1782 O ASP A 119 14.992 0.889 3.438 1.00 0.00 O ATOM 1783 CB ASP A 119 17.358 2.417 4.064 1.00 0.00 C ATOM 1784 CG ASP A 119 18.450 2.380 3.012 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.830 3.459 2.511 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.926 1.270 2.689 1.00 0.00 O ATOM 0 H ASP A 119 14.878 3.056 5.269 1.00 0.00 H new ATOM 0 HA ASP A 119 16.313 3.788 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.708 2.986 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.158 1.403 4.411 1.00 0.00 H new ATOM 1791 N VAL A 120 14.771 2.258 1.664 1.00 0.00 N ATOM 1792 CA VAL A 120 13.950 1.333 0.896 1.00 0.00 C ATOM 1793 C VAL A 120 14.807 0.227 0.297 1.00 0.00 C ATOM 1794 O VAL A 120 14.352 -0.905 0.134 1.00 0.00 O ATOM 1795 CB VAL A 120 13.195 2.056 -0.236 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.178 3.030 0.338 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.171 2.775 -1.157 1.00 0.00 C ATOM 0 H VAL A 120 14.960 3.142 1.191 1.00 0.00 H new ATOM 0 HA VAL A 120 13.222 0.901 1.583 1.00 0.00 H new ATOM 0 HB VAL A 120 12.659 1.310 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.655 3.531 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.459 2.486 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.690 3.772 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.619 3.279 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.737 3.510 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.857 2.051 -1.597 1.00 0.00 H new ATOM 1807 N GLN A 121 16.058 0.560 -0.013 1.00 0.00 N ATOM 1808 CA GLN A 121 16.984 -0.413 -0.574 1.00 0.00 C ATOM 1809 C GLN A 121 17.145 -1.575 0.394 1.00 0.00 C ATOM 1810 O GLN A 121 17.468 -2.695 -0.001 1.00 0.00 O ATOM 1811 CB GLN A 121 18.342 0.235 -0.851 1.00 0.00 C ATOM 1812 CG GLN A 121 19.085 -0.386 -2.022 1.00 0.00 C ATOM 1813 CD GLN A 121 18.657 0.192 -3.356 1.00 0.00 C ATOM 1814 OE1 GLN A 121 17.773 -0.344 -4.024 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.284 1.294 -3.753 1.00 0.00 N ATOM 0 H GLN A 121 16.450 1.493 0.115 1.00 0.00 H new ATOM 0 HA GLN A 121 16.583 -0.781 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.195 1.297 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.961 0.158 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 121 20.156 -0.233 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.915 -1.463 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.011 1.706 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.038 1.728 -4.643 1.00 0.00 H new ATOM 1824 N ALA A 122 16.898 -1.292 1.670 1.00 0.00 N ATOM 1825 CA ALA A 122 16.990 -2.299 2.713 1.00 0.00 C ATOM 1826 C ALA A 122 15.648 -2.992 2.903 1.00 0.00 C ATOM 1827 O ALA A 122 15.580 -4.101 3.433 1.00 0.00 O ATOM 1828 CB ALA A 122 17.454 -1.669 4.018 1.00 0.00 C ATOM 0 H ALA A 122 16.631 -0.366 2.004 1.00 0.00 H new ATOM 0 HA ALA A 122 17.723 -3.046 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.518 -2.436 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.435 -1.216 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.742 -0.903 4.326 1.00 0.00 H new ATOM 1834 N TRP A 123 14.577 -2.333 2.457 1.00 0.00 N ATOM 1835 CA TRP A 123 13.235 -2.900 2.573 1.00 0.00 C ATOM 1836 C TRP A 123 13.112 -4.176 1.746 1.00 0.00 C ATOM 1837 O TRP A 123 12.204 -4.980 1.957 1.00 0.00 O ATOM 1838 CB TRP A 123 12.179 -1.888 2.122 1.00 0.00 C ATOM 1839 CG TRP A 123 11.668 -1.016 3.231 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.442 0.328 3.171 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.313 -1.422 4.561 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.975 0.781 4.379 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.888 -0.277 5.245 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.314 -2.638 5.241 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.473 -0.323 6.568 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.900 -2.681 6.552 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.484 -1.527 7.206 1.00 0.00 C ATOM 0 H TRP A 123 14.613 -1.414 2.016 1.00 0.00 H new ATOM 0 HA TRP A 123 13.066 -3.144 3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.603 -1.257 1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.341 -2.424 1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.607 0.945 2.300 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.732 1.747 4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.637 -3.540 4.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.150 0.572 7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.898 -3.623 7.080 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.164 -1.586 8.236 1.00 0.00 H new ATOM 1858 N ILE A 124 14.035 -4.355 0.805 1.00 0.00 N ATOM 1859 CA ILE A 124 14.034 -5.534 -0.053 1.00 0.00 C ATOM 1860 C ILE A 124 15.379 -6.251 0.005 1.00 0.00 C ATOM 1861 O ILE A 124 15.646 -7.157 -0.784 1.00 0.00 O ATOM 1862 CB ILE A 124 13.722 -5.167 -1.516 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.610 -4.010 -1.978 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.252 -4.810 -1.671 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.468 -4.350 -3.177 1.00 0.00 C ATOM 0 H ILE A 124 14.793 -3.698 0.618 1.00 0.00 H new ATOM 0 HA ILE A 124 13.253 -6.197 0.319 1.00 0.00 H new ATOM 0 HB ILE A 124 13.933 -6.033 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.981 -3.154 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.255 -3.706 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.048 -4.553 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.638 -5.662 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.015 -3.958 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.071 -3.484 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.123 -5.186 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.829 -4.625 -4.016 1.00 0.00 H new ATOM 1877 N ARG A 125 16.221 -5.834 0.945 1.00 0.00 N ATOM 1878 CA ARG A 125 17.541 -6.431 1.112 1.00 0.00 C ATOM 1879 C ARG A 125 17.429 -7.897 1.523 1.00 0.00 C ATOM 1880 O ARG A 125 17.234 -8.208 2.697 1.00 0.00 O ATOM 1881 CB ARG A 125 18.346 -5.656 2.157 1.00 0.00 C ATOM 1882 CG ARG A 125 19.706 -5.195 1.659 1.00 0.00 C ATOM 1883 CD ARG A 125 20.808 -6.152 2.082 1.00 0.00 C ATOM 1884 NE ARG A 125 21.873 -6.235 1.086 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.965 -7.211 0.186 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.061 -8.180 0.158 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.964 -7.216 -0.686 1.00 0.00 N ATOM 0 H ARG A 125 16.012 -5.084 1.604 1.00 0.00 H new ATOM 0 HA ARG A 125 18.058 -6.380 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.771 -4.786 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.485 -6.285 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.689 -5.116 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.919 -4.199 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.227 -5.825 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.385 -7.143 2.244 1.00 0.00 H new ATOM 0 HE ARG A 125 22.585 -5.505 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.292 -8.179 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.135 -8.926 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.662 -6.472 -0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.035 -7.964 -1.376 1.00 0.00 H new ATOM 1901 N GLY A 126 17.553 -8.791 0.546 1.00 0.00 N ATOM 1902 CA GLY A 126 17.464 -10.213 0.826 1.00 0.00 C ATOM 1903 C GLY A 126 16.269 -10.863 0.156 1.00 0.00 C ATOM 1904 O GLY A 126 16.074 -12.075 0.260 1.00 0.00 O ATOM 0 H GLY A 126 17.713 -8.556 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.377 -10.704 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.399 -10.365 1.903 1.00 0.00 H new ATOM 1908 N CYS A 127 15.467 -10.056 -0.531 1.00 0.00 N ATOM 1909 CA CYS A 127 14.283 -10.552 -1.218 1.00 0.00 C ATOM 1910 C CYS A 127 14.650 -11.532 -2.327 1.00 0.00 C ATOM 1911 O CYS A 127 15.814 -11.898 -2.488 1.00 0.00 O ATOM 1912 CB CYS A 127 13.489 -9.392 -1.787 1.00 0.00 C ATOM 1913 SG CYS A 127 12.220 -8.731 -0.659 1.00 0.00 S ATOM 0 H CYS A 127 15.618 -9.052 -0.626 1.00 0.00 H new ATOM 0 HA CYS A 127 13.671 -11.086 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.178 -8.590 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 127 13.007 -9.714 -2.710 1.00 0.00 H new ATOM 1918 N ARG A 128 13.648 -11.952 -3.091 1.00 0.00 N ATOM 1919 CA ARG A 128 13.862 -12.891 -4.187 1.00 0.00 C ATOM 1920 C ARG A 128 13.021 -12.510 -5.402 1.00 0.00 C ATOM 1921 O ARG A 128 11.898 -12.988 -5.566 1.00 0.00 O ATOM 1922 CB ARG A 128 13.523 -14.314 -3.742 1.00 0.00 C ATOM 1923 CG ARG A 128 14.188 -15.390 -4.586 1.00 0.00 C ATOM 1924 CD ARG A 128 14.303 -16.702 -3.827 1.00 0.00 C ATOM 1925 NE ARG A 128 14.080 -17.857 -4.692 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.052 -18.660 -5.114 1.00 0.00 C ATOM 1927 NH1 ARG A 128 16.308 -18.436 -4.751 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.767 -19.690 -5.899 1.00 0.00 N ATOM 0 H ARG A 128 12.679 -11.657 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 128 14.914 -12.848 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.824 -14.442 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.442 -14.450 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.612 -15.546 -5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.180 -15.055 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.292 -16.774 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.579 -16.714 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 128 13.125 -18.059 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.531 -17.646 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 128 17.051 -19.054 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.802 -19.866 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.513 -20.306 -6.223 1.00 0.00 H new ATOM 1942 N LEU A 129 13.573 -11.648 -6.250 1.00 0.00 N ATOM 1943 CA LEU A 129 12.874 -11.202 -7.450 1.00 0.00 C ATOM 1944 C LEU A 129 13.818 -11.164 -8.647 1.00 0.00 C ATOM 1945 O LEU A 129 15.036 -11.358 -8.446 1.00 0.00 O ATOM 1946 CB LEU A 129 12.261 -9.819 -7.226 1.00 0.00 C ATOM 1947 CG LEU A 129 13.235 -8.754 -6.717 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.286 -7.576 -7.678 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.836 -8.290 -5.324 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.333 -10.943 -9.776 1.00 0.00 O ATOM 0 H LEU A 129 14.502 -11.245 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 129 12.077 -11.915 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.827 -9.474 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.443 -9.912 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 129 14.230 -9.195 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.983 -6.828 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.618 -7.920 -8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.293 -7.135 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.539 -7.533 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.832 -7.866 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.850 -9.138 -4.640 1.00 0.00 H new TER 1962 LEU A 129