USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 133:sc= -0.491 USER MOD Set 1.2: A 123 HIS : no HD1:sc= -17.1! C(o=-18!,f=-25!) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.011 K(o=1.2,f=-4.1!) USER MOD Set 2.2: A 86 THR OG1 : rot 87:sc= 1.22 USER MOD Set 3.1: A 45 CYS SG : rot -4:sc= -1.82! USER MOD Set 3.2: A 122 TYR OH : rot 141:sc= -0.343 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0.0206 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -18! C(o=-18!,f=-20!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -159:sc= -0.0787 (180deg=-0.782) USER MOD Single : A 55 MET CE :methyl 170:sc= -0.0403 (180deg=-0.485) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -168:sc= -0.214 (180deg=-0.616) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.56) USER MOD Single : A 71 TYR OH : rot 130:sc= -0.955! USER MOD Single : A 72 SER OG : rot 23:sc= 0.00217 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 85 MET CE :methyl -111:sc= -2.28! (180deg=-5.16) USER MOD Single : A 89 SER OG : rot 72:sc= 0.322 USER MOD Single : A 90 MET CE :methyl -145:sc= -0.31 (180deg=-1.64!) USER MOD Single : A 95 GLN : amide:sc= -12.1! C(o=-12!,f=-16!) USER MOD Single : A 112 THR OG1 : rot 30:sc= 0.27 USER MOD Single : A 117 LYS NZ :NH3+ -128:sc= -0.0369 (180deg=-0.519) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 153:sc= -0.849! (180deg=-2.63!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 0.053 -18.213 -11.677 1.00 0.00 N ATOM 2 CA ASN A 36 0.765 -17.730 -12.893 1.00 0.00 C ATOM 3 C ASN A 36 -0.007 -16.559 -13.496 1.00 0.00 C ATOM 4 O ASN A 36 0.013 -16.332 -14.689 1.00 0.00 O ATOM 5 CB ASN A 36 0.767 -18.921 -13.852 1.00 0.00 C ATOM 6 CG ASN A 36 -0.636 -19.119 -14.429 1.00 0.00 C ATOM 7 OD1 ASN A 36 -1.015 -18.459 -15.375 1.00 0.00 O ATOM 8 ND2 ASN A 36 -1.428 -20.007 -13.895 1.00 0.00 N ATOM 0 HA ASN A 36 1.777 -17.384 -12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.481 -18.751 -14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.086 -19.822 -13.328 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.365 -20.147 -14.272 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.110 -20.562 -13.100 1.00 0.00 H new ATOM 15 N ALA A 37 -0.704 -15.823 -12.676 1.00 0.00 N ATOM 16 CA ALA A 37 -1.496 -14.678 -13.195 1.00 0.00 C ATOM 17 C ALA A 37 -0.913 -13.351 -12.712 1.00 0.00 C ATOM 18 O ALA A 37 -0.087 -13.302 -11.822 1.00 0.00 O ATOM 19 CB ALA A 37 -2.898 -14.887 -12.628 1.00 0.00 C ATOM 0 H ALA A 37 -0.758 -15.967 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.492 -14.637 -14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.550 -14.081 -12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.292 -15.842 -12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.854 -14.887 -11.539 1.00 0.00 H new ATOM 25 N VAL A 38 -1.343 -12.276 -13.306 1.00 0.00 N ATOM 26 CA VAL A 38 -0.831 -10.936 -12.910 1.00 0.00 C ATOM 27 C VAL A 38 -1.983 -9.931 -12.874 1.00 0.00 C ATOM 28 O VAL A 38 -2.916 -10.022 -13.644 1.00 0.00 O ATOM 29 CB VAL A 38 0.162 -10.564 -14.012 1.00 0.00 C ATOM 30 CG1 VAL A 38 1.326 -11.556 -14.011 1.00 0.00 C ATOM 31 CG2 VAL A 38 -0.545 -10.611 -15.369 1.00 0.00 C ATOM 0 H VAL A 38 -2.034 -12.268 -14.056 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.371 -10.936 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 38 0.543 -9.559 -13.832 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.032 -11.289 -14.797 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.830 -11.525 -13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.947 -12.562 -14.190 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.161 -10.346 -16.156 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.926 -11.617 -15.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.374 -9.903 -15.372 1.00 0.00 H new ATOM 41 N LYS A 39 -1.917 -8.955 -12.010 1.00 0.00 N ATOM 42 CA LYS A 39 -3.007 -7.938 -11.966 1.00 0.00 C ATOM 43 C LYS A 39 -2.558 -6.704 -12.744 1.00 0.00 C ATOM 44 O LYS A 39 -1.609 -6.037 -12.376 1.00 0.00 O ATOM 45 CB LYS A 39 -3.211 -7.618 -10.486 1.00 0.00 C ATOM 46 CG LYS A 39 -3.800 -8.842 -9.782 1.00 0.00 C ATOM 47 CD LYS A 39 -4.461 -8.415 -8.470 1.00 0.00 C ATOM 48 CE LYS A 39 -4.135 -9.441 -7.381 1.00 0.00 C ATOM 49 NZ LYS A 39 -4.924 -9.010 -6.194 1.00 0.00 N ATOM 0 H LYS A 39 -1.162 -8.818 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.937 -8.288 -12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.262 -7.342 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.879 -6.764 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.532 -9.328 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.015 -9.572 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.105 -7.428 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.540 -8.338 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.411 -10.448 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.068 -9.456 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.581 -9.509 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.815 -7.985 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.928 -9.234 -6.345 1.00 0.00 H new ATOM 63 N VAL A 40 -3.210 -6.410 -13.836 1.00 0.00 N ATOM 64 CA VAL A 40 -2.780 -5.232 -14.646 1.00 0.00 C ATOM 65 C VAL A 40 -3.845 -4.131 -14.665 1.00 0.00 C ATOM 66 O VAL A 40 -5.019 -4.381 -14.849 1.00 0.00 O ATOM 67 CB VAL A 40 -2.559 -5.780 -16.058 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.248 -4.623 -17.010 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.381 -6.756 -16.045 1.00 0.00 C ATOM 0 H VAL A 40 -4.011 -6.926 -14.200 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.884 -4.774 -14.227 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.458 -6.297 -16.393 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.090 -5.012 -18.016 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.084 -3.924 -17.018 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.348 -4.108 -16.675 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.222 -7.148 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.482 -6.237 -15.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.598 -7.580 -15.365 1.00 0.00 H new ATOM 79 N ARG A 41 -3.421 -2.909 -14.506 1.00 0.00 N ATOM 80 CA ARG A 41 -4.368 -1.759 -14.545 1.00 0.00 C ATOM 81 C ARG A 41 -3.799 -0.703 -15.492 1.00 0.00 C ATOM 82 O ARG A 41 -2.718 -0.195 -15.276 1.00 0.00 O ATOM 83 CB ARG A 41 -4.434 -1.223 -13.113 1.00 0.00 C ATOM 84 CG ARG A 41 -5.485 -0.114 -13.033 1.00 0.00 C ATOM 85 CD ARG A 41 -5.734 0.256 -11.568 1.00 0.00 C ATOM 86 NE ARG A 41 -4.458 0.868 -11.102 1.00 0.00 N ATOM 87 CZ ARG A 41 -4.418 1.510 -9.965 1.00 0.00 C ATOM 88 NH1 ARG A 41 -5.493 2.090 -9.503 1.00 0.00 N ATOM 89 NH2 ARG A 41 -3.303 1.573 -9.289 1.00 0.00 N ATOM 0 H ARG A 41 -2.446 -2.654 -14.349 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.361 -2.037 -14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.686 -2.028 -12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.460 -0.838 -12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.147 0.762 -13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.414 -0.446 -13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.565 0.955 -11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.989 -0.624 -10.977 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.615 0.786 -11.671 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.365 2.042 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.461 2.591 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.462 1.121 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.272 2.074 -8.401 1.00 0.00 H new ATOM 103 N HIS A 42 -4.486 -0.382 -16.554 1.00 0.00 N ATOM 104 CA HIS A 42 -3.916 0.620 -17.496 1.00 0.00 C ATOM 105 C HIS A 42 -4.900 1.747 -17.799 1.00 0.00 C ATOM 106 O HIS A 42 -6.030 1.752 -17.357 1.00 0.00 O ATOM 107 CB HIS A 42 -3.598 -0.171 -18.770 1.00 0.00 C ATOM 108 CG HIS A 42 -4.826 -0.292 -19.638 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.009 0.491 -20.768 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.936 -1.094 -19.554 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.190 0.146 -21.313 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.797 -0.816 -20.614 1.00 0.00 N ATOM 0 H HIS A 42 -5.399 -0.761 -16.807 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.037 1.103 -17.070 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.802 0.326 -19.324 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.232 -1.164 -18.507 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.366 1.199 -21.122 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.115 -1.829 -18.783 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.598 0.593 -22.208 1.00 0.00 H new ATOM 120 N ILE A 43 -4.461 2.693 -18.580 1.00 0.00 N ATOM 121 CA ILE A 43 -5.336 3.829 -18.963 1.00 0.00 C ATOM 122 C ILE A 43 -5.357 3.948 -20.485 1.00 0.00 C ATOM 123 O ILE A 43 -4.341 3.774 -21.143 1.00 0.00 O ATOM 124 CB ILE A 43 -4.684 5.067 -18.354 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.768 4.994 -16.832 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.411 6.321 -18.846 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.657 5.850 -16.222 1.00 0.00 C ATOM 0 H ILE A 43 -3.520 2.726 -18.973 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.361 3.702 -18.616 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.638 5.111 -18.657 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.742 5.347 -16.493 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.670 3.960 -16.500 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.946 7.206 -18.411 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.348 6.375 -19.933 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.458 6.277 -18.545 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.714 5.800 -15.135 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.687 5.477 -16.552 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.776 6.884 -16.544 1.00 0.00 H new ATOM 139 N LEU A 44 -6.497 4.243 -21.047 1.00 0.00 N ATOM 140 CA LEU A 44 -6.582 4.374 -22.525 1.00 0.00 C ATOM 141 C LEU A 44 -6.857 5.824 -22.918 1.00 0.00 C ATOM 142 O LEU A 44 -7.791 6.444 -22.446 1.00 0.00 O ATOM 143 CB LEU A 44 -7.745 3.478 -22.940 1.00 0.00 C ATOM 144 CG LEU A 44 -7.440 2.878 -24.309 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.555 1.920 -24.714 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.328 3.997 -25.343 1.00 0.00 C ATOM 0 H LEU A 44 -7.371 4.398 -20.545 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.651 4.086 -23.014 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.892 2.686 -22.205 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.670 4.054 -22.978 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.498 2.332 -24.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.332 1.495 -25.692 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.631 1.119 -23.979 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.500 2.461 -24.761 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.110 3.568 -26.321 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.269 4.546 -25.389 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.525 4.677 -25.058 1.00 0.00 H new ATOM 158 N CYS A 45 -6.049 6.367 -23.783 1.00 0.00 N ATOM 159 CA CYS A 45 -6.252 7.775 -24.219 1.00 0.00 C ATOM 160 C CYS A 45 -6.180 7.862 -25.742 1.00 0.00 C ATOM 161 O CYS A 45 -5.345 7.241 -26.368 1.00 0.00 O ATOM 162 CB CYS A 45 -5.099 8.552 -23.590 1.00 0.00 C ATOM 163 SG CYS A 45 -5.412 8.767 -21.824 1.00 0.00 S ATOM 0 H CYS A 45 -5.252 5.893 -24.209 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.223 8.168 -23.917 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.161 8.018 -23.742 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.995 9.524 -24.073 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.579 8.277 -21.527 1.00 0.00 H new ATOM 169 N GLU A 46 -7.040 8.630 -26.349 1.00 0.00 N ATOM 170 CA GLU A 46 -6.994 8.748 -27.830 1.00 0.00 C ATOM 171 C GLU A 46 -5.615 9.291 -28.241 1.00 0.00 C ATOM 172 O GLU A 46 -4.927 9.906 -27.453 1.00 0.00 O ATOM 173 CB GLU A 46 -8.133 9.703 -28.188 1.00 0.00 C ATOM 174 CG GLU A 46 -9.471 8.971 -28.055 1.00 0.00 C ATOM 175 CD GLU A 46 -10.587 9.817 -28.673 1.00 0.00 C ATOM 176 OE1 GLU A 46 -10.270 10.802 -29.317 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.741 9.462 -28.490 1.00 0.00 O ATOM 0 H GLU A 46 -7.767 9.177 -25.887 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.121 7.800 -28.352 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.114 10.572 -27.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.007 10.071 -29.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.418 8.003 -28.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.688 8.778 -27.004 1.00 0.00 H new ATOM 184 N LYS A 47 -5.185 9.024 -29.444 1.00 0.00 N ATOM 185 CA LYS A 47 -3.821 9.474 -29.876 1.00 0.00 C ATOM 186 C LYS A 47 -3.779 10.948 -30.297 1.00 0.00 C ATOM 187 O LYS A 47 -4.440 11.361 -31.228 1.00 0.00 O ATOM 188 CB LYS A 47 -3.491 8.582 -31.065 1.00 0.00 C ATOM 189 CG LYS A 47 -2.052 8.837 -31.519 1.00 0.00 C ATOM 190 CD LYS A 47 -1.923 8.540 -33.016 1.00 0.00 C ATOM 191 CE LYS A 47 -1.113 9.652 -33.688 1.00 0.00 C ATOM 192 NZ LYS A 47 -1.490 9.582 -35.128 1.00 0.00 N ATOM 0 H LYS A 47 -5.716 8.514 -30.150 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.109 9.393 -29.055 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.616 7.534 -30.791 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.182 8.782 -31.884 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.775 9.872 -31.319 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.365 8.208 -30.953 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.434 7.577 -33.166 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.911 8.470 -33.470 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.352 10.627 -33.264 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.042 9.499 -33.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.976 10.314 -35.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.244 8.645 -35.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.513 9.738 -35.227 1.00 0.00 H new ATOM 206 N HIS A 48 -2.997 11.740 -29.606 1.00 0.00 N ATOM 207 CA HIS A 48 -2.891 13.194 -29.943 1.00 0.00 C ATOM 208 C HIS A 48 -1.426 13.638 -29.934 1.00 0.00 C ATOM 209 O HIS A 48 -1.117 14.797 -30.130 1.00 0.00 O ATOM 210 CB HIS A 48 -3.656 13.909 -28.829 1.00 0.00 C ATOM 211 CG HIS A 48 -4.898 13.132 -28.526 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.250 12.770 -27.239 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.854 12.598 -29.344 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.376 12.044 -27.324 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.787 11.914 -28.586 1.00 0.00 N ATOM 0 H HIS A 48 -2.424 11.440 -28.818 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.289 13.415 -30.933 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.035 13.992 -27.937 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.910 14.924 -29.136 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.748 13.010 -26.384 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.877 12.695 -30.419 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.887 11.617 -26.474 1.00 0.00 H new ATOM 223 N GLY A 49 -0.526 12.728 -29.684 1.00 0.00 N ATOM 224 CA GLY A 49 0.915 13.099 -29.636 1.00 0.00 C ATOM 225 C GLY A 49 1.275 13.516 -28.209 1.00 0.00 C ATOM 226 O GLY A 49 2.378 13.947 -27.936 1.00 0.00 O ATOM 0 H GLY A 49 -0.727 11.743 -29.511 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.531 12.256 -29.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.117 13.916 -30.329 1.00 0.00 H new ATOM 230 N LYS A 50 0.353 13.381 -27.292 1.00 0.00 N ATOM 231 CA LYS A 50 0.641 13.760 -25.880 1.00 0.00 C ATOM 232 C LYS A 50 0.969 12.507 -25.065 1.00 0.00 C ATOM 233 O LYS A 50 0.848 12.488 -23.856 1.00 0.00 O ATOM 234 CB LYS A 50 -0.645 14.415 -25.369 1.00 0.00 C ATOM 235 CG LYS A 50 -1.791 13.404 -25.428 1.00 0.00 C ATOM 236 CD LYS A 50 -3.019 13.983 -24.724 1.00 0.00 C ATOM 237 CE LYS A 50 -3.369 15.339 -25.340 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.643 15.742 -24.683 1.00 0.00 N ATOM 0 H LYS A 50 -0.587 13.024 -27.462 1.00 0.00 H new ATOM 0 HA LYS A 50 1.495 14.433 -25.795 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.506 14.764 -24.346 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.886 15.289 -25.974 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.030 13.170 -26.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.492 12.471 -24.951 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.862 13.299 -24.820 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.821 14.096 -23.658 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.582 16.071 -25.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.489 15.263 -26.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.948 16.664 -25.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.375 15.030 -24.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.497 15.813 -23.656 1.00 0.00 H new ATOM 252 N ILE A 51 1.383 11.459 -25.724 1.00 0.00 N ATOM 253 CA ILE A 51 1.721 10.200 -24.997 1.00 0.00 C ATOM 254 C ILE A 51 2.650 10.504 -23.818 1.00 0.00 C ATOM 255 O ILE A 51 2.385 10.128 -22.691 1.00 0.00 O ATOM 256 CB ILE A 51 2.436 9.329 -26.030 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.431 8.849 -27.081 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.056 8.119 -25.331 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.181 8.330 -28.310 1.00 0.00 C ATOM 0 H ILE A 51 1.502 11.419 -26.736 1.00 0.00 H new ATOM 0 HA ILE A 51 0.838 9.708 -24.588 1.00 0.00 H new ATOM 0 HB ILE A 51 3.218 9.912 -26.516 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.804 8.060 -26.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.769 9.667 -27.365 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.566 7.496 -26.066 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.772 8.459 -24.583 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.272 7.538 -24.845 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.464 7.989 -29.057 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.789 9.131 -28.730 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.825 7.500 -28.020 1.00 0.00 H new ATOM 271 N MET A 52 3.736 11.179 -24.072 1.00 0.00 N ATOM 272 CA MET A 52 4.686 11.507 -22.969 1.00 0.00 C ATOM 273 C MET A 52 3.981 12.335 -21.891 1.00 0.00 C ATOM 274 O MET A 52 4.265 12.214 -20.718 1.00 0.00 O ATOM 275 CB MET A 52 5.796 12.324 -23.633 1.00 0.00 C ATOM 276 CG MET A 52 6.931 12.556 -22.633 1.00 0.00 C ATOM 277 SD MET A 52 8.038 13.842 -23.265 1.00 0.00 S ATOM 278 CE MET A 52 8.656 12.924 -24.697 1.00 0.00 C ATOM 0 H MET A 52 4.008 11.518 -24.995 1.00 0.00 H new ATOM 0 HA MET A 52 5.074 10.614 -22.479 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.173 11.799 -24.511 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.401 13.279 -23.978 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.524 12.854 -21.667 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.485 11.631 -22.474 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.604 13.352 -25.022 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.804 11.879 -24.423 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.932 12.987 -25.510 1.00 0.00 H new ATOM 288 N GLU A 53 3.065 13.176 -22.282 1.00 0.00 N ATOM 289 CA GLU A 53 2.345 14.017 -21.283 1.00 0.00 C ATOM 290 C GLU A 53 1.537 13.143 -20.316 1.00 0.00 C ATOM 291 O GLU A 53 1.504 13.389 -19.126 1.00 0.00 O ATOM 292 CB GLU A 53 1.413 14.902 -22.112 1.00 0.00 C ATOM 293 CG GLU A 53 2.245 15.870 -22.956 1.00 0.00 C ATOM 294 CD GLU A 53 2.954 16.865 -22.036 1.00 0.00 C ATOM 295 OE1 GLU A 53 2.479 17.061 -20.929 1.00 0.00 O ATOM 296 OE2 GLU A 53 3.959 17.415 -22.454 1.00 0.00 O ATOM 0 H GLU A 53 2.783 13.318 -23.252 1.00 0.00 H new ATOM 0 HA GLU A 53 3.032 14.601 -20.671 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.787 14.285 -22.757 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.743 15.458 -21.456 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.977 15.319 -23.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.603 16.401 -23.659 1.00 0.00 H new ATOM 303 N ALA A 54 0.882 12.132 -20.816 1.00 0.00 N ATOM 304 CA ALA A 54 0.073 11.254 -19.921 1.00 0.00 C ATOM 305 C ALA A 54 0.974 10.516 -18.931 1.00 0.00 C ATOM 306 O ALA A 54 0.748 10.541 -17.738 1.00 0.00 O ATOM 307 CB ALA A 54 -0.616 10.257 -20.847 1.00 0.00 C ATOM 0 H ALA A 54 0.871 11.875 -21.803 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.642 11.830 -19.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.230 9.577 -20.257 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.247 10.794 -21.555 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.136 9.686 -21.392 1.00 0.00 H new ATOM 313 N MET A 55 1.986 9.850 -19.413 1.00 0.00 N ATOM 314 CA MET A 55 2.884 9.106 -18.486 1.00 0.00 C ATOM 315 C MET A 55 3.700 10.087 -17.639 1.00 0.00 C ATOM 316 O MET A 55 4.112 9.773 -16.538 1.00 0.00 O ATOM 317 CB MET A 55 3.785 8.263 -19.387 1.00 0.00 C ATOM 318 CG MET A 55 4.588 9.179 -20.311 1.00 0.00 C ATOM 319 SD MET A 55 6.263 9.381 -19.653 1.00 0.00 S ATOM 320 CE MET A 55 6.994 7.931 -20.449 1.00 0.00 C ATOM 0 H MET A 55 2.229 9.789 -20.402 1.00 0.00 H new ATOM 0 HA MET A 55 2.331 8.480 -17.785 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.460 7.659 -18.781 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.183 7.572 -19.977 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.629 8.756 -21.315 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.099 10.149 -20.394 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.077 7.954 -20.324 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.596 7.025 -19.992 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.751 7.938 -21.512 1.00 0.00 H new ATOM 330 N GLU A 56 3.920 11.280 -18.125 1.00 0.00 N ATOM 331 CA GLU A 56 4.688 12.273 -17.319 1.00 0.00 C ATOM 332 C GLU A 56 3.852 12.677 -16.102 1.00 0.00 C ATOM 333 O GLU A 56 4.372 12.916 -15.030 1.00 0.00 O ATOM 334 CB GLU A 56 4.921 13.466 -18.247 1.00 0.00 C ATOM 335 CG GLU A 56 6.086 13.155 -19.189 1.00 0.00 C ATOM 336 CD GLU A 56 7.411 13.385 -18.462 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.373 13.837 -17.329 1.00 0.00 O ATOM 338 OE2 GLU A 56 8.443 13.106 -19.050 1.00 0.00 O ATOM 0 H GLU A 56 3.604 11.608 -19.038 1.00 0.00 H new ATOM 0 HA GLU A 56 5.635 11.878 -16.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.019 13.675 -18.822 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.140 14.359 -17.662 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.023 12.123 -19.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.030 13.789 -20.074 1.00 0.00 H new ATOM 345 N LYS A 57 2.553 12.709 -16.252 1.00 0.00 N ATOM 346 CA LYS A 57 1.677 13.042 -15.104 1.00 0.00 C ATOM 347 C LYS A 57 1.378 11.746 -14.358 1.00 0.00 C ATOM 348 O LYS A 57 0.910 11.739 -13.239 1.00 0.00 O ATOM 349 CB LYS A 57 0.407 13.607 -15.736 1.00 0.00 C ATOM 350 CG LYS A 57 -0.492 14.178 -14.645 1.00 0.00 C ATOM 351 CD LYS A 57 -0.430 15.700 -14.696 1.00 0.00 C ATOM 352 CE LYS A 57 -1.728 16.279 -14.142 1.00 0.00 C ATOM 353 NZ LYS A 57 -2.357 16.986 -15.293 1.00 0.00 N ATOM 0 H LYS A 57 2.065 12.517 -17.127 1.00 0.00 H new ATOM 0 HA LYS A 57 2.116 13.750 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.661 14.384 -16.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.119 12.825 -16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.518 13.838 -14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.170 13.821 -13.667 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.419 16.060 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.279 16.035 -15.722 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.379 15.493 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.534 16.964 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.256 17.411 -14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.718 17.733 -15.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.536 16.308 -16.061 1.00 0.00 H new ATOM 367 N LEU A 58 1.658 10.645 -14.999 1.00 0.00 N ATOM 368 CA LEU A 58 1.423 9.314 -14.393 1.00 0.00 C ATOM 369 C LEU A 58 2.494 9.030 -13.338 1.00 0.00 C ATOM 370 O LEU A 58 2.265 8.320 -12.379 1.00 0.00 O ATOM 371 CB LEU A 58 1.572 8.364 -15.583 1.00 0.00 C ATOM 372 CG LEU A 58 0.906 7.025 -15.291 1.00 0.00 C ATOM 373 CD1 LEU A 58 1.282 6.558 -13.892 1.00 0.00 C ATOM 374 CD2 LEU A 58 -0.612 7.177 -15.393 1.00 0.00 C ATOM 0 H LEU A 58 2.049 10.617 -15.941 1.00 0.00 H new ATOM 0 HA LEU A 58 0.460 9.221 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.125 8.812 -16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.629 8.210 -15.802 1.00 0.00 H new ATOM 0 HG LEU A 58 1.245 6.287 -16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.804 5.600 -13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.364 6.445 -13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.948 7.294 -13.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.088 6.219 -15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.953 7.917 -14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.878 7.503 -16.398 1.00 0.00 H new ATOM 386 N LYS A 59 3.665 9.579 -13.526 1.00 0.00 N ATOM 387 CA LYS A 59 4.783 9.351 -12.564 1.00 0.00 C ATOM 388 C LYS A 59 4.259 9.139 -11.137 1.00 0.00 C ATOM 389 O LYS A 59 3.238 9.671 -10.752 1.00 0.00 O ATOM 390 CB LYS A 59 5.634 10.619 -12.642 1.00 0.00 C ATOM 391 CG LYS A 59 4.842 11.805 -12.081 1.00 0.00 C ATOM 392 CD LYS A 59 5.813 12.884 -11.591 1.00 0.00 C ATOM 393 CE LYS A 59 6.166 13.822 -12.750 1.00 0.00 C ATOM 394 NZ LYS A 59 7.122 14.808 -12.171 1.00 0.00 N ATOM 0 H LYS A 59 3.897 10.183 -14.315 1.00 0.00 H new ATOM 0 HA LYS A 59 5.350 8.454 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.557 10.485 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.919 10.815 -13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.186 12.214 -12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.205 11.475 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.362 13.450 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.717 12.421 -11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.617 13.274 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.277 14.317 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.410 15.485 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.663 15.319 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.961 14.309 -11.812 1.00 0.00 H new ATOM 408 N SER A 60 4.957 8.365 -10.352 1.00 0.00 N ATOM 409 CA SER A 60 4.502 8.112 -8.954 1.00 0.00 C ATOM 410 C SER A 60 4.240 9.435 -8.232 1.00 0.00 C ATOM 411 O SER A 60 3.260 9.582 -7.529 1.00 0.00 O ATOM 412 CB SER A 60 5.657 7.357 -8.292 1.00 0.00 C ATOM 413 OG SER A 60 5.869 6.129 -8.974 1.00 0.00 O ATOM 0 H SER A 60 5.823 7.896 -10.618 1.00 0.00 H new ATOM 0 HA SER A 60 3.572 7.545 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.564 7.961 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.429 7.169 -7.243 1.00 0.00 H new ATOM 0 HG SER A 60 6.609 5.644 -8.553 1.00 0.00 H new ATOM 419 N GLY A 61 5.104 10.398 -8.397 1.00 0.00 N ATOM 420 CA GLY A 61 4.896 11.706 -7.715 1.00 0.00 C ATOM 421 C GLY A 61 3.442 12.150 -7.889 1.00 0.00 C ATOM 422 O GLY A 61 2.904 12.879 -7.078 1.00 0.00 O ATOM 0 H GLY A 61 5.943 10.336 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.135 11.617 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.568 12.456 -8.132 1.00 0.00 H new ATOM 426 N MET A 62 2.801 11.715 -8.938 1.00 0.00 N ATOM 427 CA MET A 62 1.382 12.112 -9.161 1.00 0.00 C ATOM 428 C MET A 62 0.453 10.939 -8.871 1.00 0.00 C ATOM 429 O MET A 62 0.817 9.790 -9.025 1.00 0.00 O ATOM 430 CB MET A 62 1.305 12.511 -10.633 1.00 0.00 C ATOM 431 CG MET A 62 -0.082 13.086 -10.933 1.00 0.00 C ATOM 432 SD MET A 62 -0.074 14.871 -10.629 1.00 0.00 S ATOM 433 CE MET A 62 -1.110 14.855 -9.144 1.00 0.00 C ATOM 0 H MET A 62 3.198 11.102 -9.650 1.00 0.00 H new ATOM 0 HA MET A 62 1.075 12.926 -8.505 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.074 13.249 -10.862 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.496 11.645 -11.266 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.355 12.884 -11.969 1.00 0.00 H new ATOM 0 HG3 MET A 62 -0.831 12.603 -10.306 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.415 15.873 -8.902 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.995 14.244 -9.324 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.545 14.438 -8.311 1.00 0.00 H new ATOM 443 N ARG A 63 -0.744 11.219 -8.442 1.00 0.00 N ATOM 444 CA ARG A 63 -1.690 10.116 -8.133 1.00 0.00 C ATOM 445 C ARG A 63 -2.242 9.499 -9.421 1.00 0.00 C ATOM 446 O ARG A 63 -3.028 10.094 -10.147 1.00 0.00 O ATOM 447 CB ARG A 63 -2.803 10.753 -7.298 1.00 0.00 C ATOM 448 CG ARG A 63 -3.450 11.894 -8.078 1.00 0.00 C ATOM 449 CD ARG A 63 -3.695 13.077 -7.138 1.00 0.00 C ATOM 450 NE ARG A 63 -4.621 12.550 -6.096 1.00 0.00 N ATOM 451 CZ ARG A 63 -5.138 13.357 -5.210 1.00 0.00 C ATOM 452 NH1 ARG A 63 -5.183 14.640 -5.442 1.00 0.00 N ATOM 453 NH2 ARG A 63 -5.615 12.880 -4.093 1.00 0.00 N ATOM 0 H ARG A 63 -1.107 12.161 -8.293 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.205 9.304 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.553 10.004 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.396 11.128 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.805 12.198 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.391 11.562 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.763 13.431 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.136 13.920 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.851 11.557 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.814 15.013 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.587 15.270 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.584 11.877 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.019 13.511 -3.400 1.00 0.00 H new ATOM 467 N PHE A 64 -1.826 8.297 -9.701 1.00 0.00 N ATOM 468 CA PHE A 64 -2.304 7.589 -10.923 1.00 0.00 C ATOM 469 C PHE A 64 -3.803 7.821 -11.098 1.00 0.00 C ATOM 470 O PHE A 64 -4.297 7.946 -12.197 1.00 0.00 O ATOM 471 CB PHE A 64 -2.022 6.109 -10.644 1.00 0.00 C ATOM 472 CG PHE A 64 -2.402 5.267 -11.842 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.599 5.275 -12.985 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.549 4.463 -11.801 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.937 4.484 -14.091 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.891 3.673 -12.906 1.00 0.00 C ATOM 477 CZ PHE A 64 -3.084 3.681 -14.051 1.00 0.00 C ATOM 0 H PHE A 64 -1.168 7.768 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.815 7.937 -11.833 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.966 5.970 -10.414 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.584 5.783 -9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.714 5.893 -13.016 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.170 4.452 -10.917 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.314 4.493 -14.973 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.778 3.057 -12.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.346 3.069 -14.902 1.00 0.00 H new ATOM 487 N ASN A 65 -4.531 7.874 -10.018 1.00 0.00 N ATOM 488 CA ASN A 65 -6.001 8.091 -10.122 1.00 0.00 C ATOM 489 C ASN A 65 -6.303 9.406 -10.844 1.00 0.00 C ATOM 490 O ASN A 65 -7.168 9.469 -11.695 1.00 0.00 O ATOM 491 CB ASN A 65 -6.498 8.151 -8.677 1.00 0.00 C ATOM 492 CG ASN A 65 -7.946 8.645 -8.658 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.820 8.019 -9.226 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.240 9.746 -8.024 1.00 0.00 N ATOM 0 H ASN A 65 -4.172 7.777 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.489 7.300 -10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.432 7.165 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.867 8.819 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.203 10.082 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.507 10.271 -7.547 1.00 0.00 H new ATOM 501 N GLU A 66 -5.611 10.462 -10.508 1.00 0.00 N ATOM 502 CA GLU A 66 -5.885 11.765 -11.181 1.00 0.00 C ATOM 503 C GLU A 66 -5.537 11.692 -12.669 1.00 0.00 C ATOM 504 O GLU A 66 -6.324 12.084 -13.509 1.00 0.00 O ATOM 505 CB GLU A 66 -5.014 12.801 -10.473 1.00 0.00 C ATOM 506 CG GLU A 66 -5.282 14.174 -11.087 1.00 0.00 C ATOM 507 CD GLU A 66 -4.457 15.236 -10.357 1.00 0.00 C ATOM 508 OE1 GLU A 66 -4.751 15.498 -9.203 1.00 0.00 O ATOM 509 OE2 GLU A 66 -3.545 15.770 -10.967 1.00 0.00 O ATOM 0 H GLU A 66 -4.874 10.480 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.941 12.026 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.237 12.815 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.960 12.541 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.026 14.165 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.343 14.413 -11.018 1.00 0.00 H new ATOM 516 N VAL A 67 -4.375 11.199 -13.020 1.00 0.00 N ATOM 517 CA VAL A 67 -4.050 11.131 -14.481 1.00 0.00 C ATOM 518 C VAL A 67 -5.028 10.183 -15.178 1.00 0.00 C ATOM 519 O VAL A 67 -5.548 10.485 -16.234 1.00 0.00 O ATOM 520 CB VAL A 67 -2.611 10.617 -14.608 1.00 0.00 C ATOM 521 CG1 VAL A 67 -1.640 11.616 -13.987 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.455 9.277 -13.906 1.00 0.00 C ATOM 0 H VAL A 67 -3.658 10.851 -12.384 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.139 12.110 -14.951 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.389 10.496 -15.668 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.621 11.241 -14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.724 12.573 -14.502 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.880 11.749 -12.932 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.427 8.930 -14.008 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.697 9.390 -12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.130 8.549 -14.357 1.00 0.00 H new ATOM 532 N ALA A 68 -5.297 9.047 -14.590 1.00 0.00 N ATOM 533 CA ALA A 68 -6.259 8.094 -15.218 1.00 0.00 C ATOM 534 C ALA A 68 -7.642 8.736 -15.289 1.00 0.00 C ATOM 535 O ALA A 68 -8.363 8.589 -16.258 1.00 0.00 O ATOM 536 CB ALA A 68 -6.290 6.882 -14.285 1.00 0.00 C ATOM 0 H ALA A 68 -4.894 8.739 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.969 7.819 -16.232 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.978 6.135 -14.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.291 6.453 -14.213 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.623 7.193 -13.295 1.00 0.00 H new ATOM 542 N ALA A 69 -8.016 9.453 -14.265 1.00 0.00 N ATOM 543 CA ALA A 69 -9.352 10.110 -14.265 1.00 0.00 C ATOM 544 C ALA A 69 -9.482 11.014 -15.492 1.00 0.00 C ATOM 545 O ALA A 69 -10.437 10.935 -16.238 1.00 0.00 O ATOM 546 CB ALA A 69 -9.389 10.934 -12.976 1.00 0.00 C ATOM 0 H ALA A 69 -7.454 9.612 -13.429 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.172 9.394 -14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.346 11.451 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.266 10.273 -12.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.581 11.666 -12.989 1.00 0.00 H new ATOM 552 N GLN A 70 -8.517 11.864 -15.712 1.00 0.00 N ATOM 553 CA GLN A 70 -8.569 12.763 -16.899 1.00 0.00 C ATOM 554 C GLN A 70 -8.113 11.996 -18.145 1.00 0.00 C ATOM 555 O GLN A 70 -8.197 12.485 -19.255 1.00 0.00 O ATOM 556 CB GLN A 70 -7.598 13.899 -16.577 1.00 0.00 C ATOM 557 CG GLN A 70 -7.483 14.835 -17.783 1.00 0.00 C ATOM 558 CD GLN A 70 -8.865 15.395 -18.131 1.00 0.00 C ATOM 559 OE1 GLN A 70 -9.217 16.479 -17.709 1.00 0.00 O ATOM 560 NE2 GLN A 70 -9.667 14.699 -18.889 1.00 0.00 N ATOM 0 H GLN A 70 -7.694 11.975 -15.120 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.573 13.137 -17.101 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.947 14.453 -15.706 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.618 13.493 -16.325 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.795 15.650 -17.559 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.072 14.296 -18.637 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.372 13.789 -19.243 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.589 15.065 -19.127 1.00 0.00 H new ATOM 569 N TYR A 71 -7.634 10.793 -17.963 1.00 0.00 N ATOM 570 CA TYR A 71 -7.171 9.978 -19.124 1.00 0.00 C ATOM 571 C TYR A 71 -8.150 8.829 -19.376 1.00 0.00 C ATOM 572 O TYR A 71 -7.890 7.937 -20.158 1.00 0.00 O ATOM 573 CB TYR A 71 -5.809 9.430 -18.691 1.00 0.00 C ATOM 574 CG TYR A 71 -4.762 10.526 -18.706 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.022 11.761 -19.324 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.522 10.298 -18.099 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.040 12.759 -19.330 1.00 0.00 C ATOM 578 CE2 TYR A 71 -2.543 11.299 -18.105 1.00 0.00 C ATOM 579 CZ TYR A 71 -2.801 12.530 -18.722 1.00 0.00 C ATOM 580 OH TYR A 71 -1.836 13.515 -18.730 1.00 0.00 O ATOM 0 H TYR A 71 -7.543 10.338 -17.055 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.109 10.557 -20.046 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.884 9.005 -17.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.507 8.623 -19.358 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.978 11.940 -19.794 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.320 9.349 -17.625 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.240 13.708 -19.805 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.588 11.122 -17.633 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.493 13.645 -17.821 1.00 0.00 H new ATOM 590 N SER A 72 -9.270 8.837 -18.710 1.00 0.00 N ATOM 591 CA SER A 72 -10.258 7.740 -18.900 1.00 0.00 C ATOM 592 C SER A 72 -11.100 7.963 -20.161 1.00 0.00 C ATOM 593 O SER A 72 -12.208 8.456 -20.095 1.00 0.00 O ATOM 594 CB SER A 72 -11.144 7.796 -17.659 1.00 0.00 C ATOM 595 OG SER A 72 -12.181 6.832 -17.781 1.00 0.00 O ATOM 0 H SER A 72 -9.544 9.557 -18.041 1.00 0.00 H new ATOM 0 HA SER A 72 -9.768 6.774 -19.024 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.552 7.599 -16.765 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.570 8.793 -17.546 1.00 0.00 H new ATOM 0 HG SER A 72 -11.903 6.130 -18.405 1.00 0.00 H new ATOM 601 N GLU A 73 -10.601 7.576 -21.306 1.00 0.00 N ATOM 602 CA GLU A 73 -11.403 7.747 -22.551 1.00 0.00 C ATOM 603 C GLU A 73 -12.066 6.409 -22.909 1.00 0.00 C ATOM 604 O GLU A 73 -12.666 6.257 -23.955 1.00 0.00 O ATOM 605 CB GLU A 73 -10.402 8.188 -23.632 1.00 0.00 C ATOM 606 CG GLU A 73 -9.719 6.968 -24.266 1.00 0.00 C ATOM 607 CD GLU A 73 -10.287 6.735 -25.669 1.00 0.00 C ATOM 608 OE1 GLU A 73 -11.295 7.343 -25.986 1.00 0.00 O ATOM 609 OE2 GLU A 73 -9.702 5.953 -26.401 1.00 0.00 O ATOM 0 H GLU A 73 -9.681 7.153 -21.432 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.200 8.483 -22.445 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.918 8.763 -24.401 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.651 8.845 -23.193 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.642 7.128 -24.320 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.879 6.086 -23.646 1.00 0.00 H new ATOM 616 N ASP A 74 -11.948 5.441 -22.038 1.00 0.00 N ATOM 617 CA ASP A 74 -12.552 4.102 -22.298 1.00 0.00 C ATOM 618 C ASP A 74 -13.822 3.929 -21.464 1.00 0.00 C ATOM 619 O ASP A 74 -14.071 2.881 -20.900 1.00 0.00 O ATOM 620 CB ASP A 74 -11.482 3.100 -21.852 1.00 0.00 C ATOM 621 CG ASP A 74 -11.006 3.453 -20.440 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.712 4.182 -19.762 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.941 2.991 -20.062 1.00 0.00 O ATOM 0 H ASP A 74 -11.454 5.523 -21.149 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.834 3.967 -23.342 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.887 2.088 -21.868 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.641 3.117 -22.545 1.00 0.00 H new ATOM 628 N LYS A 75 -14.626 4.952 -21.373 1.00 0.00 N ATOM 629 CA LYS A 75 -15.874 4.850 -20.568 1.00 0.00 C ATOM 630 C LYS A 75 -16.666 3.597 -20.958 1.00 0.00 C ATOM 631 O LYS A 75 -17.194 2.899 -20.115 1.00 0.00 O ATOM 632 CB LYS A 75 -16.665 6.113 -20.907 1.00 0.00 C ATOM 633 CG LYS A 75 -17.812 6.283 -19.909 1.00 0.00 C ATOM 634 CD LYS A 75 -17.284 6.927 -18.626 1.00 0.00 C ATOM 635 CE LYS A 75 -18.377 7.796 -17.998 1.00 0.00 C ATOM 636 NZ LYS A 75 -18.165 7.677 -16.528 1.00 0.00 N ATOM 0 H LYS A 75 -14.472 5.855 -21.822 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.668 4.769 -19.501 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.010 6.984 -20.876 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.059 6.047 -21.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.596 6.903 -20.343 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.259 5.314 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.970 6.156 -17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.406 7.533 -18.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.295 8.832 -18.326 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.370 7.449 -18.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.877 8.246 -16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.256 6.681 -16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.214 8.021 -16.285 1.00 0.00 H new ATOM 650 N ALA A 76 -16.757 3.308 -22.227 1.00 0.00 N ATOM 651 CA ALA A 76 -17.521 2.103 -22.663 1.00 0.00 C ATOM 652 C ALA A 76 -16.567 1.007 -23.151 1.00 0.00 C ATOM 653 O ALA A 76 -16.987 0.011 -23.706 1.00 0.00 O ATOM 654 CB ALA A 76 -18.407 2.591 -23.809 1.00 0.00 C ATOM 0 H ALA A 76 -16.337 3.852 -22.980 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.103 1.671 -21.849 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.003 1.761 -24.187 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.069 3.378 -23.448 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.781 2.983 -24.611 1.00 0.00 H new ATOM 660 N ARG A 77 -15.290 1.181 -22.950 1.00 0.00 N ATOM 661 CA ARG A 77 -14.315 0.146 -23.407 1.00 0.00 C ATOM 662 C ARG A 77 -13.789 -0.652 -22.208 1.00 0.00 C ATOM 663 O ARG A 77 -13.207 -1.708 -22.360 1.00 0.00 O ATOM 664 CB ARG A 77 -13.185 0.938 -24.065 1.00 0.00 C ATOM 665 CG ARG A 77 -12.567 0.112 -25.193 1.00 0.00 C ATOM 666 CD ARG A 77 -12.599 0.921 -26.493 1.00 0.00 C ATOM 667 NE ARG A 77 -11.727 0.169 -27.435 1.00 0.00 N ATOM 668 CZ ARG A 77 -11.551 0.609 -28.649 1.00 0.00 C ATOM 669 NH1 ARG A 77 -12.449 1.380 -29.199 1.00 0.00 N ATOM 670 NH2 ARG A 77 -10.478 0.282 -29.314 1.00 0.00 N ATOM 0 H ARG A 77 -14.878 1.993 -22.490 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.763 -0.574 -24.092 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -13.569 1.879 -24.458 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -12.424 1.188 -23.325 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.540 -0.154 -24.943 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.117 -0.821 -25.319 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.615 1.008 -26.879 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.230 1.934 -26.337 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.268 -0.690 -27.131 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.288 1.638 -28.679 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.312 1.725 -30.149 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.775 -0.319 -28.884 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.342 0.627 -30.264 1.00 0.00 H new ATOM 684 N GLN A 78 -13.992 -0.158 -21.017 1.00 0.00 N ATOM 685 CA GLN A 78 -13.506 -0.891 -19.812 1.00 0.00 C ATOM 686 C GLN A 78 -12.000 -1.159 -19.924 1.00 0.00 C ATOM 687 O GLN A 78 -11.553 -2.286 -19.844 1.00 0.00 O ATOM 688 CB GLN A 78 -14.292 -2.204 -19.806 1.00 0.00 C ATOM 689 CG GLN A 78 -15.793 -1.903 -19.813 1.00 0.00 C ATOM 690 CD GLN A 78 -16.254 -1.588 -18.389 1.00 0.00 C ATOM 691 OE1 GLN A 78 -16.329 -2.468 -17.554 1.00 0.00 O ATOM 692 NE2 GLN A 78 -16.568 -0.361 -18.071 1.00 0.00 N ATOM 0 H GLN A 78 -14.473 0.721 -20.826 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.655 -0.324 -18.893 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -14.027 -2.803 -20.677 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -14.033 -2.791 -18.925 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -16.003 -1.059 -20.470 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -16.345 -2.757 -20.205 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.506 0.379 -18.770 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.876 -0.143 -17.123 1.00 0.00 H new ATOM 701 N GLY A 79 -11.217 -0.130 -20.108 1.00 0.00 N ATOM 702 CA GLY A 79 -9.741 -0.322 -20.224 1.00 0.00 C ATOM 703 C GLY A 79 -9.045 0.386 -19.060 1.00 0.00 C ATOM 704 O GLY A 79 -7.895 0.772 -19.146 1.00 0.00 O ATOM 0 H GLY A 79 -11.535 0.836 -20.183 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.499 -1.385 -20.215 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.384 0.078 -21.173 1.00 0.00 H new ATOM 708 N GLY A 80 -9.736 0.559 -17.969 1.00 0.00 N ATOM 709 CA GLY A 80 -9.126 1.240 -16.795 1.00 0.00 C ATOM 710 C GLY A 80 -8.300 0.235 -15.992 1.00 0.00 C ATOM 711 O GLY A 80 -7.110 0.399 -15.811 1.00 0.00 O ATOM 0 H GLY A 80 -10.701 0.256 -17.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.493 2.063 -17.127 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.905 1.671 -16.166 1.00 0.00 H new ATOM 715 N ASP A 81 -8.918 -0.804 -15.500 1.00 0.00 N ATOM 716 CA ASP A 81 -8.153 -1.804 -14.703 1.00 0.00 C ATOM 717 C ASP A 81 -8.486 -3.232 -15.146 1.00 0.00 C ATOM 718 O ASP A 81 -9.635 -3.595 -15.299 1.00 0.00 O ATOM 719 CB ASP A 81 -8.600 -1.581 -13.258 1.00 0.00 C ATOM 720 CG ASP A 81 -10.076 -1.961 -13.112 1.00 0.00 C ATOM 721 OD1 ASP A 81 -10.902 -1.287 -13.706 1.00 0.00 O ATOM 722 OD2 ASP A 81 -10.354 -2.919 -12.411 1.00 0.00 O ATOM 0 H ASP A 81 -9.912 -1.003 -15.614 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.077 -1.683 -14.830 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.991 -2.181 -12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.453 -0.538 -12.978 1.00 0.00 H new ATOM 727 N LEU A 82 -7.486 -4.048 -15.334 1.00 0.00 N ATOM 728 CA LEU A 82 -7.739 -5.458 -15.745 1.00 0.00 C ATOM 729 C LEU A 82 -7.538 -6.377 -14.540 1.00 0.00 C ATOM 730 O LEU A 82 -6.856 -6.033 -13.596 1.00 0.00 O ATOM 731 CB LEU A 82 -6.703 -5.755 -16.829 1.00 0.00 C ATOM 732 CG LEU A 82 -7.191 -5.215 -18.176 1.00 0.00 C ATOM 733 CD1 LEU A 82 -7.789 -3.819 -17.988 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.010 -5.134 -19.147 1.00 0.00 C ATOM 0 H LEU A 82 -6.503 -3.799 -15.221 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.753 -5.614 -16.113 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.749 -5.298 -16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.533 -6.829 -16.898 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.953 -5.883 -18.578 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.135 -3.439 -18.949 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.629 -3.873 -17.296 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.029 -3.149 -17.585 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.354 -4.750 -20.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.250 -4.467 -18.741 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.584 -6.128 -19.285 1.00 0.00 H new ATOM 746 N GLY A 83 -8.131 -7.537 -14.555 1.00 0.00 N ATOM 747 CA GLY A 83 -7.973 -8.463 -13.399 1.00 0.00 C ATOM 748 C GLY A 83 -6.681 -9.270 -13.542 1.00 0.00 C ATOM 749 O GLY A 83 -5.604 -8.722 -13.735 1.00 0.00 O ATOM 0 H GLY A 83 -8.717 -7.884 -15.315 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.955 -7.895 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.828 -9.137 -13.344 1.00 0.00 H new ATOM 753 N TRP A 84 -6.786 -10.570 -13.439 1.00 0.00 N ATOM 754 CA TRP A 84 -5.583 -11.445 -13.555 1.00 0.00 C ATOM 755 C TRP A 84 -5.368 -11.874 -15.005 1.00 0.00 C ATOM 756 O TRP A 84 -6.297 -12.232 -15.699 1.00 0.00 O ATOM 757 CB TRP A 84 -5.904 -12.669 -12.700 1.00 0.00 C ATOM 758 CG TRP A 84 -5.754 -12.331 -11.253 1.00 0.00 C ATOM 759 CD1 TRP A 84 -4.628 -12.515 -10.528 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.740 -11.763 -10.344 1.00 0.00 C ATOM 761 NE1 TRP A 84 -4.859 -12.095 -9.231 1.00 0.00 N ATOM 762 CE2 TRP A 84 -6.146 -11.623 -9.068 1.00 0.00 C ATOM 763 CE3 TRP A 84 -8.078 -11.358 -10.501 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -6.854 -11.102 -7.985 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -8.793 -10.833 -9.413 1.00 0.00 C ATOM 766 CH2 TRP A 84 -8.183 -10.705 -8.158 1.00 0.00 C ATOM 0 H TRP A 84 -7.662 -11.066 -13.278 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.677 -10.932 -13.232 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.921 -13.007 -12.900 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.238 -13.491 -12.961 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.700 -12.923 -10.901 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.163 -12.130 -8.486 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.558 -11.452 -11.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.379 -11.006 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -9.820 -10.526 -9.544 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -8.739 -10.300 -7.325 1.00 0.00 H new ATOM 777 N MET A 85 -4.148 -11.856 -15.463 1.00 0.00 N ATOM 778 CA MET A 85 -3.872 -12.279 -16.864 1.00 0.00 C ATOM 779 C MET A 85 -2.698 -13.257 -16.895 1.00 0.00 C ATOM 780 O MET A 85 -1.724 -13.099 -16.184 1.00 0.00 O ATOM 781 CB MET A 85 -3.511 -10.996 -17.612 1.00 0.00 C ATOM 782 CG MET A 85 -4.661 -9.995 -17.498 1.00 0.00 C ATOM 783 SD MET A 85 -6.209 -10.779 -18.012 1.00 0.00 S ATOM 784 CE MET A 85 -7.294 -9.941 -16.830 1.00 0.00 C ATOM 0 H MET A 85 -3.329 -11.567 -14.928 1.00 0.00 H new ATOM 0 HA MET A 85 -4.727 -12.784 -17.314 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.599 -10.566 -17.198 1.00 0.00 H new ATOM 0 HB3 MET A 85 -3.311 -11.218 -18.660 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.746 -9.640 -16.471 1.00 0.00 H new ATOM 0 HG3 MET A 85 -4.460 -9.123 -18.121 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.655 -10.660 -16.094 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.739 -9.151 -16.324 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.142 -9.507 -17.359 1.00 0.00 H new ATOM 794 N THR A 86 -2.779 -14.259 -17.721 1.00 0.00 N ATOM 795 CA THR A 86 -1.662 -15.241 -17.811 1.00 0.00 C ATOM 796 C THR A 86 -0.955 -15.081 -19.158 1.00 0.00 C ATOM 797 O THR A 86 0.257 -15.065 -19.237 1.00 0.00 O ATOM 798 CB THR A 86 -2.315 -16.626 -17.691 1.00 0.00 C ATOM 799 OG1 THR A 86 -1.309 -17.627 -17.769 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.323 -16.836 -18.824 1.00 0.00 C ATOM 0 H THR A 86 -3.570 -14.442 -18.339 1.00 0.00 H new ATOM 0 HA THR A 86 -0.914 -15.096 -17.032 1.00 0.00 H new ATOM 0 HB THR A 86 -2.835 -16.692 -16.735 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.938 -17.788 -16.876 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.779 -17.821 -18.727 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.097 -16.071 -18.768 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.811 -16.765 -19.784 1.00 0.00 H new ATOM 808 N ARG A 87 -1.708 -14.975 -20.219 1.00 0.00 N ATOM 809 CA ARG A 87 -1.090 -14.825 -21.569 1.00 0.00 C ATOM 810 C ARG A 87 -1.482 -13.483 -22.188 1.00 0.00 C ATOM 811 O ARG A 87 -1.142 -13.188 -23.318 1.00 0.00 O ATOM 812 CB ARG A 87 -1.685 -15.963 -22.401 1.00 0.00 C ATOM 813 CG ARG A 87 -1.071 -17.291 -21.969 1.00 0.00 C ATOM 814 CD ARG A 87 -0.006 -17.718 -22.981 1.00 0.00 C ATOM 815 NE ARG A 87 0.971 -16.595 -23.009 1.00 0.00 N ATOM 816 CZ ARG A 87 2.122 -16.717 -22.405 1.00 0.00 C ATOM 817 NH1 ARG A 87 2.953 -17.655 -22.771 1.00 0.00 N ATOM 818 NH2 ARG A 87 2.443 -15.901 -21.438 1.00 0.00 N ATOM 0 H ARG A 87 -2.728 -14.986 -20.210 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.001 -14.859 -21.524 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.767 -15.993 -22.273 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.494 -15.790 -23.460 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.627 -17.193 -20.978 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.845 -18.055 -21.897 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.473 -18.650 -22.681 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.442 -17.886 -23.966 1.00 0.00 H new ATOM 0 HE ARG A 87 0.741 -15.731 -23.500 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.703 -18.291 -23.528 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.853 -17.752 -22.300 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.794 -15.167 -21.154 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.343 -15.997 -20.967 1.00 0.00 H new ATOM 832 N GLY A 88 -2.226 -12.683 -21.477 1.00 0.00 N ATOM 833 CA GLY A 88 -2.668 -11.384 -22.055 1.00 0.00 C ATOM 834 C GLY A 88 -3.738 -11.685 -23.105 1.00 0.00 C ATOM 835 O GLY A 88 -3.708 -12.717 -23.742 1.00 0.00 O ATOM 0 H GLY A 88 -2.545 -12.871 -20.527 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.068 -10.735 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.826 -10.859 -22.506 1.00 0.00 H new ATOM 839 N SER A 89 -4.707 -10.832 -23.271 1.00 0.00 N ATOM 840 CA SER A 89 -5.776 -11.138 -24.266 1.00 0.00 C ATOM 841 C SER A 89 -6.300 -9.866 -24.937 1.00 0.00 C ATOM 842 O SER A 89 -7.485 -9.718 -25.163 1.00 0.00 O ATOM 843 CB SER A 89 -6.871 -11.802 -23.442 1.00 0.00 C ATOM 844 OG SER A 89 -7.577 -10.810 -22.709 1.00 0.00 O ATOM 0 H SER A 89 -4.808 -9.949 -22.771 1.00 0.00 H new ATOM 0 HA SER A 89 -5.413 -11.770 -25.076 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.555 -12.343 -24.095 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.436 -12.533 -22.760 1.00 0.00 H new ATOM 0 HG SER A 89 -8.134 -10.285 -23.321 1.00 0.00 H new ATOM 850 N MET A 90 -5.434 -8.950 -25.266 1.00 0.00 N ATOM 851 CA MET A 90 -5.900 -7.700 -25.928 1.00 0.00 C ATOM 852 C MET A 90 -5.144 -7.486 -27.239 1.00 0.00 C ATOM 853 O MET A 90 -3.944 -7.664 -27.308 1.00 0.00 O ATOM 854 CB MET A 90 -5.585 -6.578 -24.941 1.00 0.00 C ATOM 855 CG MET A 90 -6.281 -5.292 -25.393 1.00 0.00 C ATOM 856 SD MET A 90 -7.808 -5.066 -24.448 1.00 0.00 S ATOM 857 CE MET A 90 -8.920 -5.886 -25.617 1.00 0.00 C ATOM 0 H MET A 90 -4.428 -9.011 -25.106 1.00 0.00 H new ATOM 0 HA MET A 90 -6.962 -7.737 -26.172 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.920 -6.854 -23.941 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.508 -6.421 -24.884 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.620 -4.438 -25.246 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.505 -5.342 -26.459 1.00 0.00 H new ATOM 0 HE1 MET A 90 -9.887 -5.383 -25.614 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.492 -5.842 -26.618 1.00 0.00 H new ATOM 0 HE3 MET A 90 -9.052 -6.928 -25.324 1.00 0.00 H new ATOM 867 N VAL A 91 -5.842 -7.098 -28.273 1.00 0.00 N ATOM 868 CA VAL A 91 -5.192 -6.856 -29.597 1.00 0.00 C ATOM 869 C VAL A 91 -4.038 -7.845 -29.838 1.00 0.00 C ATOM 870 O VAL A 91 -4.261 -9.021 -30.047 1.00 0.00 O ATOM 871 CB VAL A 91 -4.699 -5.404 -29.542 1.00 0.00 C ATOM 872 CG1 VAL A 91 -5.898 -4.464 -29.684 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.005 -5.127 -28.203 1.00 0.00 C ATOM 0 H VAL A 91 -6.849 -6.936 -28.257 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.882 -7.010 -30.427 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.989 -5.239 -30.352 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.556 -3.430 -29.646 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.393 -4.648 -30.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.600 -4.644 -28.870 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.661 -4.093 -28.179 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.708 -5.295 -27.387 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.152 -5.796 -28.090 1.00 0.00 H new ATOM 883 N GLY A 92 -2.812 -7.388 -29.822 1.00 0.00 N ATOM 884 CA GLY A 92 -1.673 -8.322 -30.065 1.00 0.00 C ATOM 885 C GLY A 92 -0.432 -7.865 -29.291 1.00 0.00 C ATOM 886 O GLY A 92 0.004 -8.530 -28.368 1.00 0.00 O ATOM 0 H GLY A 92 -2.552 -6.416 -29.653 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.950 -9.331 -29.758 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.450 -8.363 -31.131 1.00 0.00 H new ATOM 890 N PRO A 93 0.104 -6.742 -29.693 1.00 0.00 N ATOM 891 CA PRO A 93 1.315 -6.199 -29.026 1.00 0.00 C ATOM 892 C PRO A 93 1.018 -5.839 -27.570 1.00 0.00 C ATOM 893 O PRO A 93 1.919 -5.632 -26.781 1.00 0.00 O ATOM 894 CB PRO A 93 1.657 -4.961 -29.853 1.00 0.00 C ATOM 895 CG PRO A 93 0.368 -4.577 -30.499 1.00 0.00 C ATOM 896 CD PRO A 93 -0.350 -5.868 -30.783 1.00 0.00 C ATOM 0 HA PRO A 93 2.138 -6.912 -28.986 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.041 -4.157 -29.225 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.424 -5.179 -30.596 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.223 -3.937 -29.843 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.543 -4.017 -31.418 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.432 -5.739 -30.773 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.086 -6.271 -31.761 1.00 0.00 H new ATOM 904 N PHE A 94 -0.231 -5.773 -27.198 1.00 0.00 N ATOM 905 CA PHE A 94 -0.555 -5.441 -25.782 1.00 0.00 C ATOM 906 C PHE A 94 -0.122 -6.593 -24.874 1.00 0.00 C ATOM 907 O PHE A 94 0.518 -6.391 -23.862 1.00 0.00 O ATOM 908 CB PHE A 94 -2.072 -5.264 -25.733 1.00 0.00 C ATOM 909 CG PHE A 94 -2.467 -4.775 -24.358 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.380 -3.413 -24.047 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.915 -5.685 -23.392 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.740 -2.960 -22.772 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.274 -5.232 -22.115 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.187 -3.870 -21.806 1.00 0.00 C ATOM 0 H PHE A 94 -1.034 -5.933 -27.806 1.00 0.00 H new ATOM 0 HA PHE A 94 -0.041 -4.542 -25.443 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.392 -4.551 -26.492 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.569 -6.209 -25.953 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.035 -2.711 -24.791 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.984 -6.736 -23.631 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.673 -1.909 -22.534 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.618 -5.934 -21.370 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.465 -3.521 -20.823 1.00 0.00 H new ATOM 924 N GLN A 95 -0.452 -7.807 -25.235 1.00 0.00 N ATOM 925 CA GLN A 95 -0.039 -8.967 -24.393 1.00 0.00 C ATOM 926 C GLN A 95 1.472 -9.171 -24.520 1.00 0.00 C ATOM 927 O GLN A 95 2.157 -9.441 -23.553 1.00 0.00 O ATOM 928 CB GLN A 95 -0.772 -10.190 -24.956 1.00 0.00 C ATOM 929 CG GLN A 95 -2.263 -9.901 -25.134 1.00 0.00 C ATOM 930 CD GLN A 95 -2.939 -11.134 -25.746 1.00 0.00 C ATOM 931 OE1 GLN A 95 -4.007 -11.034 -26.316 1.00 0.00 O ATOM 932 NE2 GLN A 95 -2.351 -12.303 -25.657 1.00 0.00 N ATOM 0 H GLN A 95 -0.986 -8.043 -26.071 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.280 -8.808 -23.342 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.335 -10.471 -25.914 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.640 -11.039 -24.285 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.718 -9.660 -24.173 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.404 -9.034 -25.780 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.454 -12.388 -25.179 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.791 -13.127 -26.066 1.00 0.00 H new ATOM 941 N GLU A 96 1.993 -9.047 -25.713 1.00 0.00 N ATOM 942 CA GLU A 96 3.460 -9.237 -25.914 1.00 0.00 C ATOM 943 C GLU A 96 4.255 -8.261 -25.043 1.00 0.00 C ATOM 944 O GLU A 96 5.197 -8.639 -24.377 1.00 0.00 O ATOM 945 CB GLU A 96 3.698 -8.942 -27.394 1.00 0.00 C ATOM 946 CG GLU A 96 3.033 -10.025 -28.242 1.00 0.00 C ATOM 947 CD GLU A 96 3.688 -11.375 -27.947 1.00 0.00 C ATOM 948 OE1 GLU A 96 4.649 -11.394 -27.197 1.00 0.00 O ATOM 949 OE2 GLU A 96 3.217 -12.368 -28.477 1.00 0.00 O ATOM 0 H GLU A 96 1.466 -8.822 -26.557 1.00 0.00 H new ATOM 0 HA GLU A 96 3.782 -10.241 -25.636 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.292 -7.964 -27.651 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.767 -8.908 -27.602 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.966 -10.070 -28.023 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.131 -9.785 -29.301 1.00 0.00 H new ATOM 956 N ALA A 97 3.891 -7.008 -25.049 1.00 0.00 N ATOM 957 CA ALA A 97 4.637 -6.014 -24.225 1.00 0.00 C ATOM 958 C ALA A 97 4.411 -6.278 -22.734 1.00 0.00 C ATOM 959 O ALA A 97 5.321 -6.193 -21.931 1.00 0.00 O ATOM 960 CB ALA A 97 4.055 -4.657 -24.619 1.00 0.00 C ATOM 0 H ALA A 97 3.111 -6.630 -25.587 1.00 0.00 H new ATOM 0 HA ALA A 97 5.712 -6.065 -24.396 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.553 -3.869 -24.054 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.208 -4.491 -25.685 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.988 -4.641 -24.399 1.00 0.00 H new ATOM 966 N ALA A 98 3.203 -6.590 -22.357 1.00 0.00 N ATOM 967 CA ALA A 98 2.911 -6.851 -20.918 1.00 0.00 C ATOM 968 C ALA A 98 3.915 -7.853 -20.334 1.00 0.00 C ATOM 969 O ALA A 98 4.516 -7.617 -19.306 1.00 0.00 O ATOM 970 CB ALA A 98 1.501 -7.439 -20.902 1.00 0.00 C ATOM 0 H ALA A 98 2.403 -6.676 -22.984 1.00 0.00 H new ATOM 0 HA ALA A 98 2.987 -5.945 -20.316 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.210 -7.660 -19.875 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.802 -6.721 -21.331 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.483 -8.357 -21.489 1.00 0.00 H new ATOM 976 N PHE A 99 4.089 -8.978 -20.976 1.00 0.00 N ATOM 977 CA PHE A 99 5.040 -10.001 -20.449 1.00 0.00 C ATOM 978 C PHE A 99 6.447 -9.791 -21.017 1.00 0.00 C ATOM 979 O PHE A 99 7.367 -10.516 -20.695 1.00 0.00 O ATOM 980 CB PHE A 99 4.481 -11.342 -20.930 1.00 0.00 C ATOM 981 CG PHE A 99 3.204 -11.663 -20.190 1.00 0.00 C ATOM 982 CD1 PHE A 99 3.259 -12.160 -18.882 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.965 -11.470 -20.814 1.00 0.00 C ATOM 984 CE1 PHE A 99 2.075 -12.465 -18.198 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.781 -11.774 -20.129 1.00 0.00 C ATOM 986 CZ PHE A 99 0.836 -12.271 -18.822 1.00 0.00 C ATOM 0 H PHE A 99 3.614 -9.233 -21.842 1.00 0.00 H new ATOM 0 HA PHE A 99 5.128 -9.945 -19.364 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.290 -11.302 -22.002 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.215 -12.131 -20.766 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.214 -12.308 -18.400 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.922 -11.087 -21.823 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.118 -12.850 -17.190 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.174 -11.625 -20.610 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.077 -12.505 -18.294 1.00 0.00 H new ATOM 996 N ALA A 100 6.628 -8.818 -21.866 1.00 0.00 N ATOM 997 CA ALA A 100 7.981 -8.590 -22.452 1.00 0.00 C ATOM 998 C ALA A 100 8.529 -7.219 -22.044 1.00 0.00 C ATOM 999 O ALA A 100 9.510 -6.754 -22.587 1.00 0.00 O ATOM 1000 CB ALA A 100 7.772 -8.655 -23.964 1.00 0.00 C ATOM 0 H ALA A 100 5.902 -8.173 -22.179 1.00 0.00 H new ATOM 0 HA ALA A 100 8.704 -9.328 -22.104 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.724 -8.496 -24.470 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.376 -9.634 -24.235 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.067 -7.881 -24.267 1.00 0.00 H new ATOM 1006 N LEU A 101 7.903 -6.575 -21.092 1.00 0.00 N ATOM 1007 CA LEU A 101 8.383 -5.232 -20.643 1.00 0.00 C ATOM 1008 C LEU A 101 9.916 -5.177 -20.644 1.00 0.00 C ATOM 1009 O LEU A 101 10.555 -5.622 -19.712 1.00 0.00 O ATOM 1010 CB LEU A 101 7.845 -5.079 -19.220 1.00 0.00 C ATOM 1011 CG LEU A 101 6.315 -5.074 -19.249 1.00 0.00 C ATOM 1012 CD1 LEU A 101 5.776 -4.759 -17.854 1.00 0.00 C ATOM 1013 CD2 LEU A 101 5.828 -4.008 -20.234 1.00 0.00 C ATOM 0 H LEU A 101 7.077 -6.922 -20.604 1.00 0.00 H new ATOM 0 HA LEU A 101 8.041 -4.434 -21.302 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.205 -5.896 -18.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.214 -4.153 -18.778 1.00 0.00 H new ATOM 0 HG LEU A 101 5.956 -6.054 -19.563 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.686 -4.756 -17.877 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.122 -5.516 -17.151 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.135 -3.780 -17.538 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.738 -4.003 -20.256 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.189 -3.029 -19.918 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.210 -4.232 -21.230 1.00 0.00 H new ATOM 1138 N VAL A 110 6.142 -0.887 -11.663 1.00 0.00 N ATOM 1139 CA VAL A 110 5.548 0.396 -12.145 1.00 0.00 C ATOM 1140 C VAL A 110 4.730 0.147 -13.416 1.00 0.00 C ATOM 1141 O VAL A 110 4.044 -0.850 -13.536 1.00 0.00 O ATOM 1142 CB VAL A 110 6.743 1.314 -12.440 1.00 0.00 C ATOM 1143 CG1 VAL A 110 6.293 2.773 -12.371 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.846 1.085 -11.402 1.00 0.00 C ATOM 0 HA VAL A 110 4.875 0.840 -11.412 1.00 0.00 H new ATOM 0 HB VAL A 110 7.127 1.089 -13.435 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.141 3.425 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.510 2.948 -13.109 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.907 2.988 -11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.690 1.740 -11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.461 1.306 -10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.173 0.046 -11.442 1.00 0.00 H new ATOM 1154 N PHE A 111 4.794 1.039 -14.369 1.00 0.00 N ATOM 1155 CA PHE A 111 4.019 0.838 -15.624 1.00 0.00 C ATOM 1156 C PHE A 111 4.944 0.903 -16.838 1.00 0.00 C ATOM 1157 O PHE A 111 6.010 1.484 -16.794 1.00 0.00 O ATOM 1158 CB PHE A 111 2.992 1.968 -15.653 1.00 0.00 C ATOM 1159 CG PHE A 111 3.669 3.288 -15.930 1.00 0.00 C ATOM 1160 CD1 PHE A 111 4.285 3.994 -14.889 1.00 0.00 C ATOM 1161 CD2 PHE A 111 3.665 3.814 -17.225 1.00 0.00 C ATOM 1162 CE1 PHE A 111 4.895 5.227 -15.146 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.278 5.045 -17.484 1.00 0.00 C ATOM 1164 CZ PHE A 111 4.892 5.753 -16.443 1.00 0.00 C ATOM 0 H PHE A 111 5.348 1.895 -14.331 1.00 0.00 H new ATOM 0 HA PHE A 111 3.536 -0.139 -15.655 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.244 1.768 -16.420 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.466 2.015 -14.699 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.289 3.587 -13.889 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.188 3.270 -18.027 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.368 5.773 -14.343 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.278 5.449 -18.486 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.363 6.704 -16.641 1.00 0.00 H new ATOM 1174 N THR A 112 4.544 0.295 -17.917 1.00 0.00 N ATOM 1175 CA THR A 112 5.392 0.294 -19.146 1.00 0.00 C ATOM 1176 C THR A 112 5.930 1.696 -19.445 1.00 0.00 C ATOM 1177 O THR A 112 5.183 2.646 -19.576 1.00 0.00 O ATOM 1178 CB THR A 112 4.465 -0.176 -20.270 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.260 0.583 -20.246 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.148 -1.658 -20.076 1.00 0.00 C ATOM 0 H THR A 112 3.660 -0.206 -18.004 1.00 0.00 H new ATOM 0 HA THR A 112 6.263 -0.352 -19.033 1.00 0.00 H new ATOM 0 HB THR A 112 4.956 -0.033 -21.233 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.445 1.480 -19.896 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.488 -1.996 -20.875 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.073 -2.234 -20.101 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.657 -1.802 -19.114 1.00 0.00 H new ATOM 1188 N ASP A 113 7.225 1.828 -19.559 1.00 0.00 N ATOM 1189 CA ASP A 113 7.818 3.164 -19.856 1.00 0.00 C ATOM 1190 C ASP A 113 8.865 3.040 -20.976 1.00 0.00 C ATOM 1191 O ASP A 113 9.841 2.335 -20.817 1.00 0.00 O ATOM 1192 CB ASP A 113 8.497 3.594 -18.557 1.00 0.00 C ATOM 1193 CG ASP A 113 9.220 4.922 -18.784 1.00 0.00 C ATOM 1194 OD1 ASP A 113 8.876 5.604 -19.735 1.00 0.00 O ATOM 1195 OD2 ASP A 113 10.107 5.234 -18.006 1.00 0.00 O ATOM 0 H ASP A 113 7.898 1.068 -19.459 1.00 0.00 H new ATOM 0 HA ASP A 113 7.067 3.881 -20.188 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.757 3.700 -17.764 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.205 2.831 -18.233 1.00 0.00 H new ATOM 1200 N PRO A 114 8.647 3.731 -22.073 1.00 0.00 N ATOM 1201 CA PRO A 114 7.446 4.587 -22.241 1.00 0.00 C ATOM 1202 C PRO A 114 6.231 3.727 -22.602 1.00 0.00 C ATOM 1203 O PRO A 114 6.356 2.538 -22.821 1.00 0.00 O ATOM 1204 CB PRO A 114 7.819 5.502 -23.402 1.00 0.00 C ATOM 1205 CG PRO A 114 8.848 4.750 -24.188 1.00 0.00 C ATOM 1206 CD PRO A 114 9.517 3.771 -23.254 1.00 0.00 C ATOM 0 HA PRO A 114 7.180 5.136 -21.338 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.948 5.733 -24.015 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.216 6.451 -23.042 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.383 4.225 -25.022 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.581 5.436 -24.612 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.609 2.786 -23.712 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.524 4.097 -22.993 1.00 0.00 H new ATOM 1214 N PRO A 115 5.093 4.361 -22.661 1.00 0.00 N ATOM 1215 CA PRO A 115 3.842 3.647 -23.012 1.00 0.00 C ATOM 1216 C PRO A 115 3.845 3.286 -24.501 1.00 0.00 C ATOM 1217 O PRO A 115 4.759 3.624 -25.226 1.00 0.00 O ATOM 1218 CB PRO A 115 2.749 4.664 -22.697 1.00 0.00 C ATOM 1219 CG PRO A 115 3.423 5.996 -22.796 1.00 0.00 C ATOM 1220 CD PRO A 115 4.865 5.788 -22.413 1.00 0.00 C ATOM 0 HA PRO A 115 3.709 2.711 -22.470 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.922 4.586 -23.403 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.335 4.504 -21.702 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.346 6.393 -23.808 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.948 6.719 -22.133 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.531 6.409 -23.012 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.042 6.045 -21.369 1.00 0.00 H new ATOM 1228 N VAL A 116 2.835 2.604 -24.965 1.00 0.00 N ATOM 1229 CA VAL A 116 2.798 2.231 -26.409 1.00 0.00 C ATOM 1230 C VAL A 116 1.771 3.085 -27.155 1.00 0.00 C ATOM 1231 O VAL A 116 0.865 3.641 -26.568 1.00 0.00 O ATOM 1232 CB VAL A 116 2.387 0.759 -26.430 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.342 -0.048 -25.554 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.961 0.617 -25.892 1.00 0.00 C ATOM 0 H VAL A 116 2.038 2.290 -24.412 1.00 0.00 H new ATOM 0 HA VAL A 116 3.758 2.393 -26.898 1.00 0.00 H new ATOM 0 HB VAL A 116 2.427 0.387 -27.454 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.050 -1.098 -25.568 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.358 0.051 -25.936 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.301 0.326 -24.531 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.669 -0.433 -25.908 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.919 0.990 -24.869 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.278 1.193 -26.516 1.00 0.00 H new ATOM 1244 N LYS A 117 1.907 3.187 -28.449 1.00 0.00 N ATOM 1245 CA LYS A 117 0.942 3.997 -29.247 1.00 0.00 C ATOM 1246 C LYS A 117 0.242 3.105 -30.275 1.00 0.00 C ATOM 1247 O LYS A 117 0.866 2.296 -30.932 1.00 0.00 O ATOM 1248 CB LYS A 117 1.797 5.045 -29.955 1.00 0.00 C ATOM 1249 CG LYS A 117 2.806 4.342 -30.862 1.00 0.00 C ATOM 1250 CD LYS A 117 3.628 5.384 -31.621 1.00 0.00 C ATOM 1251 CE LYS A 117 2.792 5.956 -32.768 1.00 0.00 C ATOM 1252 NZ LYS A 117 2.813 4.902 -33.820 1.00 0.00 N ATOM 0 H LYS A 117 2.648 2.742 -28.990 1.00 0.00 H new ATOM 0 HA LYS A 117 0.168 4.451 -28.627 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.165 5.711 -30.542 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.317 5.663 -29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.464 3.708 -30.268 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.286 3.692 -31.565 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.934 6.183 -30.946 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.539 4.930 -32.012 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.774 6.172 -32.445 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.214 6.891 -33.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.110 5.320 -34.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.482 4.154 -33.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.862 4.495 -33.922 1.00 0.00 H new ATOM 1266 N THR A 118 -1.044 3.245 -30.425 1.00 0.00 N ATOM 1267 CA THR A 118 -1.770 2.400 -31.415 1.00 0.00 C ATOM 1268 C THR A 118 -2.862 3.218 -32.107 1.00 0.00 C ATOM 1269 O THR A 118 -3.180 4.317 -31.697 1.00 0.00 O ATOM 1270 CB THR A 118 -2.385 1.266 -30.594 1.00 0.00 C ATOM 1271 OG1 THR A 118 -3.249 1.808 -29.601 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.273 0.462 -29.919 1.00 0.00 C ATOM 0 H THR A 118 -1.624 3.906 -29.907 1.00 0.00 H new ATOM 0 HA THR A 118 -1.112 2.023 -32.198 1.00 0.00 H new ATOM 0 HB THR A 118 -2.957 0.613 -31.253 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.098 1.318 -29.603 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.712 -0.346 -29.334 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.614 0.043 -30.679 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.699 1.115 -29.262 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.435 2.694 -33.156 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.501 3.449 -33.874 1.00 0.00 C ATOM 1282 C LYS A 119 -5.660 3.770 -32.927 1.00 0.00 C ATOM 1283 O LYS A 119 -6.408 4.704 -33.143 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.973 2.517 -34.990 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.950 3.272 -35.896 1.00 0.00 C ATOM 1286 CD LYS A 119 -6.316 2.401 -37.100 1.00 0.00 C ATOM 1287 CE LYS A 119 -7.305 3.157 -37.991 1.00 0.00 C ATOM 1288 NZ LYS A 119 -7.423 2.331 -39.224 1.00 0.00 N ATOM 0 H LYS A 119 -3.212 1.778 -33.546 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.133 4.399 -34.262 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.120 2.163 -35.569 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.457 1.638 -34.565 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.849 3.535 -35.338 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.500 4.206 -36.234 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.419 2.148 -37.666 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.756 1.462 -36.764 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.271 3.272 -37.499 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.943 4.159 -38.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.085 2.786 -39.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.490 2.244 -39.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.776 1.385 -38.976 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.815 3.008 -31.880 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.929 3.281 -30.926 1.00 0.00 C ATOM 1304 C PHE A 120 -6.407 4.063 -29.716 1.00 0.00 C ATOM 1305 O PHE A 120 -6.716 3.757 -28.581 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.481 1.910 -30.506 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.351 0.956 -30.193 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.826 0.911 -28.900 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.838 0.115 -31.188 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.784 0.025 -28.597 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.795 -0.770 -30.886 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.269 -0.814 -29.589 1.00 0.00 C ATOM 0 H PHE A 120 -5.223 2.212 -31.643 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.711 3.888 -31.381 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.122 2.022 -29.632 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.099 1.500 -31.305 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.223 1.559 -28.133 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.246 0.149 -32.187 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.379 -0.010 -27.597 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.397 -1.418 -31.653 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.465 -1.496 -29.355 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.626 5.083 -29.961 1.00 0.00 N ATOM 1323 CA GLY A 121 -5.089 5.912 -28.841 1.00 0.00 C ATOM 1324 C GLY A 121 -3.828 5.271 -28.258 1.00 0.00 C ATOM 1325 O GLY A 121 -3.440 4.182 -28.636 1.00 0.00 O ATOM 0 H GLY A 121 -5.336 5.379 -30.893 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.861 6.916 -29.200 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.845 6.016 -28.062 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.194 5.932 -27.323 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.973 5.349 -26.700 1.00 0.00 C ATOM 1331 C TYR A 122 -2.360 4.696 -25.370 1.00 0.00 C ATOM 1332 O TYR A 122 -3.454 4.889 -24.880 1.00 0.00 O ATOM 1333 CB TYR A 122 -0.983 6.508 -26.512 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.601 7.648 -25.727 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -2.311 8.665 -26.386 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.435 7.704 -24.337 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.854 9.728 -25.651 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.974 8.768 -23.607 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.684 9.779 -24.263 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.214 10.829 -23.543 1.00 0.00 O ATOM 0 H TYR A 122 -3.470 6.847 -26.967 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.513 4.576 -27.315 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -0.095 6.148 -25.993 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.658 6.871 -27.487 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.438 8.628 -27.458 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -0.889 6.923 -23.828 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -3.404 10.508 -26.156 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.842 8.809 -22.536 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.572 10.496 -22.694 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.502 3.893 -24.797 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.887 3.208 -23.526 1.00 0.00 C ATOM 1352 C HIS A 123 -0.727 3.112 -22.535 1.00 0.00 C ATOM 1353 O HIS A 123 0.392 2.808 -22.899 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.270 1.795 -23.960 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.247 1.866 -25.092 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.584 1.567 -24.916 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.105 2.214 -26.412 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.196 1.742 -26.098 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.340 2.138 -27.047 1.00 0.00 N ATOM 0 H HIS A 123 -0.567 3.684 -25.146 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.681 3.758 -23.021 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.381 1.244 -24.267 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.707 1.252 -23.122 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.178 2.502 -26.885 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.251 1.582 -26.263 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.548 2.340 -28.025 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.008 3.304 -21.275 1.00 0.00 N ATOM 1368 CA ILE A 124 0.055 3.149 -20.236 1.00 0.00 C ATOM 1369 C ILE A 124 -0.493 2.195 -19.168 1.00 0.00 C ATOM 1370 O ILE A 124 -1.442 2.504 -18.474 1.00 0.00 O ATOM 1371 CB ILE A 124 0.343 4.557 -19.681 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.734 4.980 -18.683 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.376 5.568 -20.830 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.481 6.426 -18.255 1.00 0.00 C ATOM 0 H ILE A 124 -1.928 3.562 -20.918 1.00 0.00 H new ATOM 0 HA ILE A 124 0.986 2.731 -20.618 1.00 0.00 H new ATOM 0 HB ILE A 124 1.307 4.531 -19.174 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.722 4.889 -19.135 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.720 4.323 -17.814 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.580 6.563 -20.434 1.00 0.00 H new ATOM 0 HG22 ILE A 124 1.159 5.291 -21.536 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.587 5.571 -21.340 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -1.246 6.734 -17.543 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.501 6.501 -17.787 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -0.517 7.076 -19.129 1.00 0.00 H new ATOM 1386 N ILE A 125 0.052 1.006 -19.078 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.493 0.009 -18.104 1.00 0.00 C ATOM 1388 C ILE A 125 0.421 -0.201 -16.893 1.00 0.00 C ATOM 1389 O ILE A 125 1.630 -0.125 -16.982 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.586 -1.299 -18.896 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.820 -1.844 -19.134 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.258 -1.061 -20.249 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.731 -3.096 -20.003 1.00 0.00 C ATOM 0 H ILE A 125 0.845 0.684 -19.633 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.447 0.353 -17.704 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.179 -2.012 -18.324 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.437 -1.090 -19.623 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.298 -2.080 -18.183 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.315 -2.001 -20.797 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.264 -0.671 -20.092 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.675 -0.341 -20.823 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.732 -3.490 -20.177 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.128 -3.849 -19.496 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.270 -2.844 -20.958 1.00 0.00 H new ATOM 1405 N MET A 126 -0.171 -0.518 -15.770 1.00 0.00 N ATOM 1406 CA MET A 126 0.618 -0.799 -14.536 1.00 0.00 C ATOM 1407 C MET A 126 0.571 -2.306 -14.277 1.00 0.00 C ATOM 1408 O MET A 126 -0.493 -2.887 -14.197 1.00 0.00 O ATOM 1409 CB MET A 126 -0.100 -0.052 -13.410 1.00 0.00 C ATOM 1410 CG MET A 126 -0.129 1.445 -13.716 1.00 0.00 C ATOM 1411 SD MET A 126 -0.846 2.337 -12.313 1.00 0.00 S ATOM 1412 CE MET A 126 0.161 1.581 -11.013 1.00 0.00 C ATOM 0 H MET A 126 -1.182 -0.595 -15.656 1.00 0.00 H new ATOM 0 HA MET A 126 1.659 -0.487 -14.615 1.00 0.00 H new ATOM 0 HB2 MET A 126 -1.117 -0.430 -13.301 1.00 0.00 H new ATOM 0 HB3 MET A 126 0.409 -0.229 -12.462 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.881 1.806 -13.912 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.715 1.631 -14.616 1.00 0.00 H new ATOM 0 HE1 MET A 126 0.250 2.271 -10.174 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.312 0.659 -10.676 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.153 1.357 -11.405 1.00 0.00 H new ATOM 1422 N VAL A 127 1.694 -2.956 -14.167 1.00 0.00 N ATOM 1423 CA VAL A 127 1.656 -4.427 -13.940 1.00 0.00 C ATOM 1424 C VAL A 127 2.288 -4.799 -12.598 1.00 0.00 C ATOM 1425 O VAL A 127 3.492 -4.754 -12.431 1.00 0.00 O ATOM 1426 CB VAL A 127 2.455 -5.024 -15.096 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.417 -6.549 -15.009 1.00 0.00 C ATOM 1428 CG2 VAL A 127 1.838 -4.576 -16.424 1.00 0.00 C ATOM 0 H VAL A 127 2.624 -2.541 -14.223 1.00 0.00 H new ATOM 0 HA VAL A 127 0.633 -4.803 -13.906 1.00 0.00 H new ATOM 0 HB VAL A 127 3.488 -4.682 -15.038 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.987 -6.975 -15.834 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.853 -6.870 -14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.384 -6.891 -15.068 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.407 -5.001 -17.251 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.805 -4.920 -16.480 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.862 -3.488 -16.488 1.00 0.00 H new ATOM 1438 N GLU A 128 1.483 -5.185 -11.646 1.00 0.00 N ATOM 1439 CA GLU A 128 2.035 -5.585 -10.320 1.00 0.00 C ATOM 1440 C GLU A 128 2.047 -7.111 -10.214 1.00 0.00 C ATOM 1441 O GLU A 128 2.516 -7.674 -9.244 1.00 0.00 O ATOM 1442 CB GLU A 128 1.086 -4.979 -9.284 1.00 0.00 C ATOM 1443 CG GLU A 128 -0.303 -5.604 -9.432 1.00 0.00 C ATOM 1444 CD GLU A 128 -1.228 -5.053 -8.344 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.222 -5.604 -7.255 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -1.926 -4.091 -8.618 1.00 0.00 O ATOM 0 H GLU A 128 0.468 -5.241 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 128 3.058 -5.238 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.469 -5.154 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 128 1.026 -3.899 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.711 -5.381 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.236 -6.689 -9.352 1.00 0.00 H new ATOM 1453 N GLY A 129 1.537 -7.786 -11.211 1.00 0.00 N ATOM 1454 CA GLY A 129 1.519 -9.272 -11.179 1.00 0.00 C ATOM 1455 C GLY A 129 0.753 -9.751 -9.952 1.00 0.00 C ATOM 1456 O GLY A 129 0.024 -9.004 -9.331 1.00 0.00 O ATOM 0 H GLY A 129 1.131 -7.367 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 129 1.052 -9.659 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.538 -9.657 -11.156 1.00 0.00 H new ATOM 1460 N ARG A 130 0.907 -10.997 -9.612 1.00 0.00 N ATOM 1461 CA ARG A 130 0.193 -11.546 -8.429 1.00 0.00 C ATOM 1462 C ARG A 130 1.158 -12.374 -7.576 1.00 0.00 C ATOM 1463 O ARG A 130 1.074 -12.394 -6.363 1.00 0.00 O ATOM 1464 CB ARG A 130 -0.901 -12.440 -9.005 1.00 0.00 C ATOM 1465 CG ARG A 130 -1.604 -13.175 -7.862 1.00 0.00 C ATOM 1466 CD ARG A 130 -2.379 -12.168 -7.008 1.00 0.00 C ATOM 1467 NE ARG A 130 -1.438 -11.778 -5.921 1.00 0.00 N ATOM 1468 CZ ARG A 130 -1.528 -12.336 -4.746 1.00 0.00 C ATOM 1469 NH1 ARG A 130 -1.101 -13.556 -4.570 1.00 0.00 N ATOM 1470 NH2 ARG A 130 -2.043 -11.672 -3.746 1.00 0.00 N ATOM 0 H ARG A 130 1.501 -11.664 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 130 -0.214 -10.762 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -1.620 -11.841 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.471 -13.157 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -2.283 -13.927 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -0.872 -13.701 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -2.682 -11.302 -7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -3.288 -12.612 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 130 -0.722 -11.073 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.697 -14.073 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -1.171 -13.993 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -2.375 -10.717 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -2.114 -12.108 -2.827 1.00 0.00 H new ATOM 1484 N LYS A 131 2.072 -13.061 -8.206 1.00 0.00 N ATOM 1485 CA LYS A 131 3.045 -13.895 -7.444 1.00 0.00 C ATOM 1486 C LYS A 131 3.772 -13.044 -6.399 1.00 0.00 C ATOM 1487 O LYS A 131 3.254 -12.915 -5.304 1.00 0.00 O ATOM 1488 CB LYS A 131 4.035 -14.409 -8.491 1.00 0.00 C ATOM 1489 CG LYS A 131 3.282 -15.157 -9.592 1.00 0.00 C ATOM 1490 CD LYS A 131 3.936 -14.859 -10.945 1.00 0.00 C ATOM 1491 CE LYS A 131 3.258 -15.690 -12.036 1.00 0.00 C ATOM 1492 NZ LYS A 131 3.481 -14.928 -13.296 1.00 0.00 N ATOM 1493 OXT LYS A 131 4.837 -12.538 -6.716 1.00 0.00 O ATOM 0 H LYS A 131 2.187 -13.081 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 131 2.555 -14.708 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.591 -13.575 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.764 -15.070 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.298 -16.229 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.236 -14.851 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.850 -13.797 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.000 -15.091 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.690 -16.689 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.194 -15.815 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.044 -15.436 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.053 -13.984 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.502 -14.831 -13.467 1.00 0.00 H new