USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00637 (180deg=-0.155) USER MOD Single : A 32 HIS : no HD1:sc= -6.79! C(o=-6.8!,f=-6.9!) USER MOD Single : A 33 GLN : amide:sc= -0.955 K(o=-0.96,f=-2.6) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 47 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.011) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.731 (180deg=0.507) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.197) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.45! C(o=-4.7!,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= 1.15 (180deg=-0.0893) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 69 SER OG : rot 42:sc= -3.23! USER MOD Single : A 79 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 94 GLN : amide:sc= -0.988 X(o=-0.99,f=-0.59) USER MOD Single : A 96 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.38) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 51:sc= -0.465 USER MOD Single : A 104 THR OG1 : rot -60:sc= 0.924 USER MOD Single : A 106 HIS : no HD1:sc=-0.00046 X(o=-0.00046,f=-0.08) USER MOD Single : A 109 SER OG : rot 41:sc= 1.13 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.656 26.555 -29.994 1.00 0.00 N ATOM 2 CA GLY A 1 2.537 25.658 -29.270 1.00 0.00 C ATOM 3 C GLY A 1 3.984 26.107 -29.312 1.00 0.00 C ATOM 4 O GLY A 1 4.363 27.068 -28.644 1.00 0.00 O ATOM 0 H1 GLY A 1 0.679 26.204 -29.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.708 27.506 -29.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.949 26.599 -30.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.210 25.592 -28.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.458 24.657 -29.693 1.00 0.00 H new ATOM 8 N SER A 2 4.797 25.408 -30.099 1.00 0.00 N ATOM 9 CA SER A 2 6.212 25.736 -30.222 1.00 0.00 C ATOM 10 C SER A 2 6.886 25.753 -28.853 1.00 0.00 C ATOM 11 O SER A 2 7.692 26.635 -28.557 1.00 0.00 O ATOM 12 CB SER A 2 6.385 27.094 -30.905 1.00 0.00 C ATOM 13 OG SER A 2 6.131 27.002 -32.296 1.00 0.00 O ATOM 0 H SER A 2 4.499 24.611 -30.661 1.00 0.00 H new ATOM 0 HA SER A 2 6.686 24.968 -30.832 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.707 27.819 -30.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.398 27.461 -30.741 1.00 0.00 H new ATOM 0 HG SER A 2 6.247 27.883 -32.709 1.00 0.00 H new ATOM 19 N SER A 3 6.550 24.771 -28.023 1.00 0.00 N ATOM 20 CA SER A 3 7.119 24.674 -26.684 1.00 0.00 C ATOM 21 C SER A 3 7.746 23.301 -26.458 1.00 0.00 C ATOM 22 O SER A 3 7.389 22.327 -27.119 1.00 0.00 O ATOM 23 CB SER A 3 6.042 24.934 -25.629 1.00 0.00 C ATOM 24 OG SER A 3 5.231 23.789 -25.434 1.00 0.00 O ATOM 0 H SER A 3 5.887 24.031 -28.254 1.00 0.00 H new ATOM 0 HA SER A 3 7.898 25.430 -26.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.512 25.215 -24.687 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.421 25.775 -25.938 1.00 0.00 H new ATOM 0 HG SER A 3 4.552 23.981 -24.754 1.00 0.00 H new ATOM 30 N GLY A 4 8.684 23.233 -25.518 1.00 0.00 N ATOM 31 CA GLY A 4 9.347 21.977 -25.221 1.00 0.00 C ATOM 32 C GLY A 4 8.398 20.942 -24.650 1.00 0.00 C ATOM 33 O GLY A 4 7.272 21.264 -24.273 1.00 0.00 O ATOM 0 H GLY A 4 8.996 24.026 -24.957 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.802 21.586 -26.131 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.155 22.155 -24.512 1.00 0.00 H new ATOM 37 N SER A 5 8.854 19.695 -24.587 1.00 0.00 N ATOM 38 CA SER A 5 8.035 18.608 -24.063 1.00 0.00 C ATOM 39 C SER A 5 8.072 18.587 -22.538 1.00 0.00 C ATOM 40 O SER A 5 9.100 18.878 -21.927 1.00 0.00 O ATOM 41 CB SER A 5 8.519 17.265 -24.614 1.00 0.00 C ATOM 42 OG SER A 5 8.629 17.304 -26.027 1.00 0.00 O ATOM 0 H SER A 5 9.785 19.412 -24.892 1.00 0.00 H new ATOM 0 HA SER A 5 7.006 18.775 -24.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.486 17.016 -24.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.825 16.477 -24.322 1.00 0.00 H new ATOM 0 HG SER A 5 8.942 16.435 -26.355 1.00 0.00 H new ATOM 48 N SER A 6 6.942 18.240 -21.930 1.00 0.00 N ATOM 49 CA SER A 6 6.843 18.184 -20.476 1.00 0.00 C ATOM 50 C SER A 6 6.679 16.745 -19.997 1.00 0.00 C ATOM 51 O SER A 6 5.566 16.229 -19.913 1.00 0.00 O ATOM 52 CB SER A 6 5.664 19.031 -19.992 1.00 0.00 C ATOM 53 OG SER A 6 5.767 20.364 -20.462 1.00 0.00 O ATOM 0 H SER A 6 6.083 17.994 -22.421 1.00 0.00 H new ATOM 0 HA SER A 6 7.767 18.585 -20.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.729 18.591 -20.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.633 19.028 -18.902 1.00 0.00 H new ATOM 0 HG SER A 6 5.001 20.884 -20.141 1.00 0.00 H new ATOM 59 N GLY A 7 7.800 16.101 -19.685 1.00 0.00 N ATOM 60 CA GLY A 7 7.761 14.727 -19.219 1.00 0.00 C ATOM 61 C GLY A 7 9.026 13.964 -19.556 1.00 0.00 C ATOM 62 O GLY A 7 10.132 14.443 -19.308 1.00 0.00 O ATOM 0 H GLY A 7 8.734 16.506 -19.747 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.611 14.717 -18.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.905 14.220 -19.664 1.00 0.00 H new ATOM 66 N MET A 8 8.864 12.772 -20.121 1.00 0.00 N ATOM 67 CA MET A 8 10.004 11.941 -20.492 1.00 0.00 C ATOM 68 C MET A 8 10.777 11.496 -19.255 1.00 0.00 C ATOM 69 O MET A 8 11.988 11.283 -19.313 1.00 0.00 O ATOM 70 CB MET A 8 10.931 12.703 -21.441 1.00 0.00 C ATOM 71 CG MET A 8 11.690 11.803 -22.402 1.00 0.00 C ATOM 72 SD MET A 8 10.757 11.444 -23.902 1.00 0.00 S ATOM 73 CE MET A 8 11.133 12.890 -24.890 1.00 0.00 C ATOM 0 H MET A 8 7.955 12.360 -20.332 1.00 0.00 H new ATOM 0 HA MET A 8 9.625 11.054 -21.001 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.342 13.418 -22.015 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.646 13.278 -20.853 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.633 12.279 -22.671 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.936 10.868 -21.900 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.626 12.815 -25.852 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.793 13.785 -24.369 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.209 12.951 -25.051 1.00 0.00 H new ATOM 83 N ALA A 9 10.071 11.358 -18.138 1.00 0.00 N ATOM 84 CA ALA A 9 10.691 10.937 -16.889 1.00 0.00 C ATOM 85 C ALA A 9 11.150 9.485 -16.966 1.00 0.00 C ATOM 86 O ALA A 9 10.717 8.733 -17.838 1.00 0.00 O ATOM 87 CB ALA A 9 9.724 11.126 -15.729 1.00 0.00 C ATOM 0 H ALA A 9 9.068 11.532 -18.073 1.00 0.00 H new ATOM 0 HA ALA A 9 11.569 11.560 -16.720 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.201 10.807 -14.802 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.449 12.178 -15.652 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.829 10.528 -15.901 1.00 0.00 H new ATOM 93 N ALA A 10 12.030 9.097 -16.048 1.00 0.00 N ATOM 94 CA ALA A 10 12.546 7.735 -16.012 1.00 0.00 C ATOM 95 C ALA A 10 11.817 6.899 -14.966 1.00 0.00 C ATOM 96 O ALA A 10 11.362 7.404 -13.939 1.00 0.00 O ATOM 97 CB ALA A 10 14.042 7.745 -15.733 1.00 0.00 C ATOM 0 H ALA A 10 12.400 9.708 -15.319 1.00 0.00 H new ATOM 0 HA ALA A 10 12.372 7.281 -16.988 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.414 6.721 -15.709 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.555 8.299 -16.519 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.230 8.222 -14.771 1.00 0.00 H new ATOM 103 N PRO A 11 11.700 5.589 -15.230 1.00 0.00 N ATOM 104 CA PRO A 11 11.026 4.655 -14.323 1.00 0.00 C ATOM 105 C PRO A 11 11.813 4.426 -13.038 1.00 0.00 C ATOM 106 O PRO A 11 13.038 4.296 -13.062 1.00 0.00 O ATOM 107 CB PRO A 11 10.947 3.363 -15.139 1.00 0.00 C ATOM 108 CG PRO A 11 12.073 3.458 -16.110 1.00 0.00 C ATOM 109 CD PRO A 11 12.218 4.919 -16.435 1.00 0.00 C ATOM 0 HA PRO A 11 10.055 5.030 -13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.048 2.485 -14.501 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.989 3.276 -15.651 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.993 3.061 -15.681 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.864 2.877 -17.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.257 5.187 -16.628 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.648 5.192 -17.323 1.00 0.00 H new ATOM 117 N LEU A 12 11.104 4.376 -11.916 1.00 0.00 N ATOM 118 CA LEU A 12 11.736 4.161 -10.619 1.00 0.00 C ATOM 119 C LEU A 12 11.383 2.786 -10.062 1.00 0.00 C ATOM 120 O LEU A 12 10.275 2.288 -10.267 1.00 0.00 O ATOM 121 CB LEU A 12 11.307 5.249 -9.633 1.00 0.00 C ATOM 122 CG LEU A 12 9.984 5.010 -8.904 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.217 4.241 -7.614 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.285 6.332 -8.621 1.00 0.00 C ATOM 0 H LEU A 12 10.090 4.482 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 12 12.816 4.210 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.094 5.366 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.236 6.193 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 12 9.339 4.412 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.264 4.080 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.674 3.278 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.880 4.812 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.345 6.143 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.925 6.956 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.083 6.845 -9.561 1.00 0.00 H new ATOM 136 N CYS A 13 12.329 2.178 -9.355 1.00 0.00 N ATOM 137 CA CYS A 13 12.117 0.861 -8.766 1.00 0.00 C ATOM 138 C CYS A 13 12.018 0.954 -7.247 1.00 0.00 C ATOM 139 O CYS A 13 12.838 1.604 -6.600 1.00 0.00 O ATOM 140 CB CYS A 13 13.253 -0.085 -9.159 1.00 0.00 C ATOM 141 SG CYS A 13 13.174 -0.665 -10.870 1.00 0.00 S ATOM 0 H CYS A 13 13.251 2.576 -9.176 1.00 0.00 H new ATOM 0 HA CYS A 13 11.176 0.466 -9.149 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.205 0.423 -9.003 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.239 -0.948 -8.493 1.00 0.00 H new ATOM 0 HG CYS A 13 14.178 -1.457 -11.107 1.00 0.00 H new ATOM 147 N VAL A 14 11.007 0.299 -6.684 1.00 0.00 N ATOM 148 CA VAL A 14 10.800 0.308 -5.241 1.00 0.00 C ATOM 149 C VAL A 14 10.611 -1.106 -4.704 1.00 0.00 C ATOM 150 O VAL A 14 9.971 -1.944 -5.341 1.00 0.00 O ATOM 151 CB VAL A 14 9.577 1.160 -4.855 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.883 2.641 -5.020 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.367 0.761 -5.686 1.00 0.00 C ATOM 0 H VAL A 14 10.319 -0.244 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 14 11.693 0.746 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 14 9.345 0.977 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.007 3.227 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.720 2.913 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.142 2.846 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.512 1.373 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.585 0.913 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.136 -0.290 -5.511 1.00 0.00 H new ATOM 163 N LYS A 15 11.171 -1.367 -3.528 1.00 0.00 N ATOM 164 CA LYS A 15 11.063 -2.679 -2.902 1.00 0.00 C ATOM 165 C LYS A 15 9.926 -2.706 -1.885 1.00 0.00 C ATOM 166 O LYS A 15 9.975 -2.015 -0.867 1.00 0.00 O ATOM 167 CB LYS A 15 12.381 -3.052 -2.220 1.00 0.00 C ATOM 168 CG LYS A 15 13.374 -3.732 -3.146 1.00 0.00 C ATOM 169 CD LYS A 15 14.701 -3.986 -2.450 1.00 0.00 C ATOM 170 CE LYS A 15 15.568 -2.736 -2.429 1.00 0.00 C ATOM 171 NZ LYS A 15 16.831 -2.949 -1.670 1.00 0.00 N ATOM 0 H LYS A 15 11.705 -0.686 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 15 10.846 -3.409 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.837 -2.150 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.171 -3.712 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.959 -4.677 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.537 -3.110 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.519 -4.321 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.232 -4.790 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.804 -2.441 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.009 -1.914 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.393 -2.074 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.607 -3.206 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.377 -3.716 -2.112 1.00 0.00 H new ATOM 185 N VAL A 16 8.904 -3.508 -2.167 1.00 0.00 N ATOM 186 CA VAL A 16 7.757 -3.626 -1.275 1.00 0.00 C ATOM 187 C VAL A 16 7.873 -4.862 -0.391 1.00 0.00 C ATOM 188 O VAL A 16 8.431 -5.880 -0.801 1.00 0.00 O ATOM 189 CB VAL A 16 6.437 -3.695 -2.066 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.253 -3.822 -1.118 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.286 -2.474 -2.960 1.00 0.00 C ATOM 0 H VAL A 16 8.847 -4.085 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 16 7.750 -2.735 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 16 6.460 -4.580 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.329 -3.869 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.358 -4.730 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.223 -2.957 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.348 -2.540 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.284 -1.572 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.118 -2.433 -3.663 1.00 0.00 H new ATOM 201 N GLU A 17 7.342 -4.767 0.824 1.00 0.00 N ATOM 202 CA GLU A 17 7.387 -5.879 1.766 1.00 0.00 C ATOM 203 C GLU A 17 6.127 -5.913 2.627 1.00 0.00 C ATOM 204 O GLU A 17 5.700 -4.890 3.163 1.00 0.00 O ATOM 205 CB GLU A 17 8.625 -5.771 2.658 1.00 0.00 C ATOM 206 CG GLU A 17 9.136 -7.112 3.155 1.00 0.00 C ATOM 207 CD GLU A 17 9.974 -6.988 4.413 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.419 -6.584 5.457 1.00 0.00 O ATOM 209 OE2 GLU A 17 11.183 -7.295 4.354 1.00 0.00 O ATOM 0 H GLU A 17 6.876 -3.932 1.179 1.00 0.00 H new ATOM 0 HA GLU A 17 7.441 -6.805 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.420 -5.272 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.390 -5.141 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.289 -7.769 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.730 -7.583 2.372 1.00 0.00 H new ATOM 216 N PHE A 18 5.538 -7.097 2.756 1.00 0.00 N ATOM 217 CA PHE A 18 4.327 -7.266 3.550 1.00 0.00 C ATOM 218 C PHE A 18 4.562 -8.241 4.700 1.00 0.00 C ATOM 219 O PHE A 18 5.260 -9.242 4.546 1.00 0.00 O ATOM 220 CB PHE A 18 3.179 -7.765 2.670 1.00 0.00 C ATOM 221 CG PHE A 18 2.814 -6.815 1.565 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.575 -6.751 0.409 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.711 -5.985 1.683 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.242 -5.878 -0.610 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.373 -5.111 0.667 1.00 0.00 C ATOM 226 CZ PHE A 18 2.140 -5.057 -0.480 1.00 0.00 C ATOM 0 H PHE A 18 5.880 -7.954 2.321 1.00 0.00 H new ATOM 0 HA PHE A 18 4.059 -6.296 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.456 -8.726 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.302 -7.938 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.439 -7.391 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.109 -6.021 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.843 -5.838 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.509 -4.471 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.878 -4.373 -1.274 1.00 0.00 H new ATOM 236 N GLY A 19 3.973 -7.939 5.854 1.00 0.00 N ATOM 237 CA GLY A 19 4.131 -8.798 7.013 1.00 0.00 C ATOM 238 C GLY A 19 3.541 -10.177 6.798 1.00 0.00 C ATOM 239 O GLY A 19 3.877 -10.860 5.831 1.00 0.00 O ATOM 0 H GLY A 19 3.390 -7.116 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.191 -8.893 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.653 -8.332 7.875 1.00 0.00 H new ATOM 243 N GLY A 20 2.657 -10.590 7.702 1.00 0.00 N ATOM 244 CA GLY A 20 2.035 -11.896 7.590 1.00 0.00 C ATOM 245 C GLY A 20 0.558 -11.807 7.259 1.00 0.00 C ATOM 246 O GLY A 20 -0.197 -11.112 7.937 1.00 0.00 O ATOM 0 H GLY A 20 2.361 -10.043 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.544 -12.472 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.162 -12.438 8.527 1.00 0.00 H new ATOM 250 N GLY A 21 0.144 -12.514 6.211 1.00 0.00 N ATOM 251 CA GLY A 21 -1.250 -12.497 5.809 1.00 0.00 C ATOM 252 C GLY A 21 -1.460 -11.808 4.475 1.00 0.00 C ATOM 253 O GLY A 21 -2.092 -12.361 3.576 1.00 0.00 O ATOM 0 H GLY A 21 0.749 -13.098 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.620 -13.520 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.839 -11.990 6.573 1.00 0.00 H new ATOM 257 N ALA A 22 -0.930 -10.596 4.347 1.00 0.00 N ATOM 258 CA ALA A 22 -1.063 -9.831 3.113 1.00 0.00 C ATOM 259 C ALA A 22 -0.280 -10.480 1.977 1.00 0.00 C ATOM 260 O ALA A 22 -0.795 -10.644 0.872 1.00 0.00 O ATOM 261 CB ALA A 22 -0.595 -8.399 3.327 1.00 0.00 C ATOM 0 H ALA A 22 -0.405 -10.123 5.082 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.117 -9.820 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.700 -7.839 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.200 -7.931 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.451 -8.400 3.634 1.00 0.00 H new ATOM 267 N GLU A 23 0.966 -10.849 2.258 1.00 0.00 N ATOM 268 CA GLU A 23 1.819 -11.479 1.258 1.00 0.00 C ATOM 269 C GLU A 23 1.009 -12.409 0.359 1.00 0.00 C ATOM 270 O GLU A 23 1.220 -12.459 -0.853 1.00 0.00 O ATOM 271 CB GLU A 23 2.945 -12.262 1.936 1.00 0.00 C ATOM 272 CG GLU A 23 2.536 -13.656 2.381 1.00 0.00 C ATOM 273 CD GLU A 23 3.500 -14.255 3.385 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.297 -14.049 4.600 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.459 -14.931 2.956 1.00 0.00 O ATOM 0 H GLU A 23 1.406 -10.722 3.169 1.00 0.00 H new ATOM 0 HA GLU A 23 2.253 -10.692 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.786 -12.342 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.295 -11.701 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.539 -13.615 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.474 -14.308 1.509 1.00 0.00 H new ATOM 282 N LEU A 24 0.081 -13.144 0.962 1.00 0.00 N ATOM 283 CA LEU A 24 -0.762 -14.073 0.218 1.00 0.00 C ATOM 284 C LEU A 24 -1.473 -13.363 -0.930 1.00 0.00 C ATOM 285 O LEU A 24 -1.484 -13.849 -2.062 1.00 0.00 O ATOM 286 CB LEU A 24 -1.791 -14.717 1.149 1.00 0.00 C ATOM 287 CG LEU A 24 -1.227 -15.467 2.356 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.346 -15.878 3.300 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.433 -16.684 1.905 1.00 0.00 C ATOM 0 H LEU A 24 -0.107 -13.115 1.964 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.122 -14.850 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.461 -13.938 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.395 -15.411 0.565 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.554 -14.798 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.925 -16.411 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.871 -14.989 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.045 -16.529 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.039 -17.205 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.083 -17.355 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.393 -16.364 1.270 1.00 0.00 H new ATOM 301 N LEU A 25 -2.063 -12.211 -0.632 1.00 0.00 N ATOM 302 CA LEU A 25 -2.774 -11.432 -1.640 1.00 0.00 C ATOM 303 C LEU A 25 -1.825 -10.970 -2.741 1.00 0.00 C ATOM 304 O LEU A 25 -2.257 -10.452 -3.771 1.00 0.00 O ATOM 305 CB LEU A 25 -3.451 -10.222 -0.994 1.00 0.00 C ATOM 306 CG LEU A 25 -4.625 -10.528 -0.063 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.732 -9.472 1.027 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.923 -10.616 -0.852 1.00 0.00 C ATOM 0 H LEU A 25 -2.063 -11.795 0.299 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.535 -12.071 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.700 -9.669 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.804 -9.562 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.445 -11.493 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.573 -9.707 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.812 -9.458 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.888 -8.494 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.747 -10.834 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.108 -9.667 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.844 -11.410 -1.594 1.00 0.00 H new ATOM 320 N PHE A 26 -0.529 -11.161 -2.517 1.00 0.00 N ATOM 321 CA PHE A 26 0.482 -10.765 -3.490 1.00 0.00 C ATOM 322 C PHE A 26 1.389 -11.941 -3.841 1.00 0.00 C ATOM 323 O PHE A 26 2.533 -12.013 -3.392 1.00 0.00 O ATOM 324 CB PHE A 26 1.319 -9.606 -2.945 1.00 0.00 C ATOM 325 CG PHE A 26 0.501 -8.409 -2.551 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.102 -8.345 -1.306 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.335 -7.349 -3.428 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.855 -7.245 -0.940 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.416 -6.246 -3.068 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.013 -6.195 -1.823 1.00 0.00 C ATOM 0 H PHE A 26 -0.154 -11.588 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.029 -10.440 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.883 -9.952 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.046 -9.307 -3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.017 -9.164 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.797 -7.385 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.319 -7.207 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.536 -5.425 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.602 -5.335 -1.541 1.00 0.00 H new ATOM 340 N ASP A 27 0.869 -12.861 -4.647 1.00 0.00 N ATOM 341 CA ASP A 27 1.631 -14.034 -5.059 1.00 0.00 C ATOM 342 C ASP A 27 2.348 -14.663 -3.869 1.00 0.00 C ATOM 343 O ASP A 27 3.385 -15.307 -4.025 1.00 0.00 O ATOM 344 CB ASP A 27 2.645 -13.656 -6.140 1.00 0.00 C ATOM 345 CG ASP A 27 3.410 -14.856 -6.662 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.784 -15.726 -7.302 1.00 0.00 O ATOM 347 OD2 ASP A 27 4.635 -14.925 -6.431 1.00 0.00 O ATOM 0 H ASP A 27 -0.076 -12.817 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 27 0.933 -14.765 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.126 -13.172 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.349 -12.928 -5.735 1.00 0.00 H new ATOM 352 N GLY A 28 1.789 -14.470 -2.678 1.00 0.00 N ATOM 353 CA GLY A 28 2.389 -15.023 -1.478 1.00 0.00 C ATOM 354 C GLY A 28 3.898 -14.878 -1.465 1.00 0.00 C ATOM 355 O GLY A 28 4.625 -15.861 -1.610 1.00 0.00 O ATOM 0 H GLY A 28 0.931 -13.940 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.972 -14.524 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.128 -16.078 -1.398 1.00 0.00 H new ATOM 359 N VAL A 29 4.371 -13.648 -1.291 1.00 0.00 N ATOM 360 CA VAL A 29 5.803 -13.377 -1.260 1.00 0.00 C ATOM 361 C VAL A 29 6.139 -12.315 -0.219 1.00 0.00 C ATOM 362 O VAL A 29 5.424 -11.323 -0.075 1.00 0.00 O ATOM 363 CB VAL A 29 6.316 -12.912 -2.636 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.830 -12.757 -2.617 1.00 0.00 C ATOM 365 CG2 VAL A 29 5.885 -13.886 -3.722 1.00 0.00 C ATOM 0 H VAL A 29 3.783 -12.823 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 29 6.296 -14.312 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 29 5.878 -11.939 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.174 -12.428 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.111 -12.018 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.291 -13.714 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.256 -13.542 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.293 -14.874 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.797 -13.941 -3.750 1.00 0.00 H new ATOM 375 N LYS A 30 7.232 -12.529 0.505 1.00 0.00 N ATOM 376 CA LYS A 30 7.666 -11.590 1.533 1.00 0.00 C ATOM 377 C LYS A 30 8.075 -10.257 0.914 1.00 0.00 C ATOM 378 O LYS A 30 7.567 -9.202 1.294 1.00 0.00 O ATOM 379 CB LYS A 30 8.835 -12.176 2.327 1.00 0.00 C ATOM 380 CG LYS A 30 10.002 -12.612 1.459 1.00 0.00 C ATOM 381 CD LYS A 30 10.791 -13.736 2.109 1.00 0.00 C ATOM 382 CE LYS A 30 12.222 -13.783 1.596 1.00 0.00 C ATOM 383 NZ LYS A 30 12.779 -15.163 1.630 1.00 0.00 N ATOM 0 H LYS A 30 7.834 -13.345 0.399 1.00 0.00 H new ATOM 0 HA LYS A 30 6.828 -11.415 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.184 -11.434 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.480 -13.032 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.632 -12.941 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.660 -11.762 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.796 -13.600 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.301 -14.689 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.254 -13.404 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.846 -13.125 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.756 -15.152 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.772 -15.516 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.199 -15.786 1.033 1.00 0.00 H new ATOM 397 N LYS A 31 8.996 -10.312 -0.042 1.00 0.00 N ATOM 398 CA LYS A 31 9.472 -9.110 -0.716 1.00 0.00 C ATOM 399 C LYS A 31 9.050 -9.105 -2.182 1.00 0.00 C ATOM 400 O LYS A 31 9.146 -10.122 -2.870 1.00 0.00 O ATOM 401 CB LYS A 31 10.995 -9.011 -0.613 1.00 0.00 C ATOM 402 CG LYS A 31 11.488 -8.641 0.775 1.00 0.00 C ATOM 403 CD LYS A 31 11.612 -7.136 0.940 1.00 0.00 C ATOM 404 CE LYS A 31 12.914 -6.616 0.350 1.00 0.00 C ATOM 405 NZ LYS A 31 13.276 -5.279 0.896 1.00 0.00 N ATOM 0 H LYS A 31 9.428 -11.177 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 31 9.024 -8.247 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.433 -9.966 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.351 -8.268 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.800 -9.034 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.456 -9.109 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.769 -6.645 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.563 -6.880 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.716 -7.323 0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.821 -6.552 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.237 -5.027 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.603 -4.567 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.241 -5.307 1.935 1.00 0.00 H new ATOM 419 N HIS A 32 8.584 -7.953 -2.655 1.00 0.00 N ATOM 420 CA HIS A 32 8.149 -7.816 -4.041 1.00 0.00 C ATOM 421 C HIS A 32 8.854 -6.644 -4.718 1.00 0.00 C ATOM 422 O HIS A 32 8.926 -5.548 -4.164 1.00 0.00 O ATOM 423 CB HIS A 32 6.634 -7.621 -4.106 1.00 0.00 C ATOM 424 CG HIS A 32 5.886 -8.392 -3.063 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.234 -9.578 -3.326 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.690 -8.141 -1.747 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.668 -10.023 -2.219 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.930 -9.169 -1.245 1.00 0.00 N ATOM 0 H HIS A 32 8.498 -7.102 -2.100 1.00 0.00 H new ATOM 0 HA HIS A 32 8.413 -8.731 -4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.407 -6.561 -3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.279 -7.921 -5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.062 -7.291 -1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.090 -10.930 -2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.618 -9.259 -0.278 1.00 0.00 H new ATOM 437 N GLN A 33 9.373 -6.885 -5.918 1.00 0.00 N ATOM 438 CA GLN A 33 10.073 -5.850 -6.668 1.00 0.00 C ATOM 439 C GLN A 33 9.108 -5.078 -7.563 1.00 0.00 C ATOM 440 O GLN A 33 8.398 -5.666 -8.379 1.00 0.00 O ATOM 441 CB GLN A 33 11.187 -6.469 -7.515 1.00 0.00 C ATOM 442 CG GLN A 33 10.807 -7.801 -8.140 1.00 0.00 C ATOM 443 CD GLN A 33 11.148 -8.981 -7.251 1.00 0.00 C ATOM 444 OE1 GLN A 33 11.454 -8.816 -6.070 1.00 0.00 O ATOM 445 NE2 GLN A 33 11.095 -10.182 -7.815 1.00 0.00 N ATOM 0 H GLN A 33 9.322 -7.787 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 33 10.513 -5.154 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.461 -5.771 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.071 -6.608 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.738 -7.807 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.321 -7.910 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.837 -10.273 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.313 -11.013 -7.266 1.00 0.00 H new ATOM 454 N VAL A 34 9.087 -3.759 -7.403 1.00 0.00 N ATOM 455 CA VAL A 34 8.209 -2.907 -8.196 1.00 0.00 C ATOM 456 C VAL A 34 9.013 -1.921 -9.037 1.00 0.00 C ATOM 457 O VAL A 34 10.033 -1.397 -8.591 1.00 0.00 O ATOM 458 CB VAL A 34 7.230 -2.123 -7.303 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.221 -1.366 -8.152 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.527 -3.061 -6.333 1.00 0.00 C ATOM 0 H VAL A 34 9.668 -3.257 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 34 7.641 -3.564 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 34 7.798 -1.396 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.538 -0.818 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.745 -0.665 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.656 -2.072 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.839 -2.490 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.971 -3.813 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.267 -3.552 -5.701 1.00 0.00 H new ATOM 470 N ALA A 35 8.546 -1.674 -10.256 1.00 0.00 N ATOM 471 CA ALA A 35 9.220 -0.749 -11.159 1.00 0.00 C ATOM 472 C ALA A 35 8.231 0.232 -11.779 1.00 0.00 C ATOM 473 O ALA A 35 7.762 0.032 -12.900 1.00 0.00 O ATOM 474 CB ALA A 35 9.958 -1.516 -12.247 1.00 0.00 C ATOM 0 H ALA A 35 7.704 -2.101 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 35 9.944 -0.177 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.456 -0.812 -12.914 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.700 -2.171 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.247 -2.114 -12.817 1.00 0.00 H new ATOM 480 N LEU A 36 7.918 1.293 -11.043 1.00 0.00 N ATOM 481 CA LEU A 36 6.983 2.306 -11.521 1.00 0.00 C ATOM 482 C LEU A 36 7.560 3.060 -12.714 1.00 0.00 C ATOM 483 O LEU A 36 8.759 3.328 -12.790 1.00 0.00 O ATOM 484 CB LEU A 36 6.646 3.288 -10.397 1.00 0.00 C ATOM 485 CG LEU A 36 6.207 2.665 -9.071 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.284 3.689 -7.949 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.799 2.102 -9.186 1.00 0.00 C ATOM 0 H LEU A 36 8.298 1.474 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 36 6.071 1.801 -11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.521 3.911 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.853 3.949 -10.745 1.00 0.00 H new ATOM 0 HG LEU A 36 6.886 1.845 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.968 3.228 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.310 4.044 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.629 4.530 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.504 1.663 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.107 2.903 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.776 1.336 -9.961 1.00 0.00 H new ATOM 499 N PRO A 37 6.687 3.414 -13.669 1.00 0.00 N ATOM 500 CA PRO A 37 7.086 4.145 -14.875 1.00 0.00 C ATOM 501 C PRO A 37 7.490 5.584 -14.574 1.00 0.00 C ATOM 502 O PRO A 37 7.598 5.979 -13.414 1.00 0.00 O ATOM 503 CB PRO A 37 5.826 4.114 -15.743 1.00 0.00 C ATOM 504 CG PRO A 37 4.704 3.960 -14.775 1.00 0.00 C ATOM 505 CD PRO A 37 5.243 3.128 -13.645 1.00 0.00 C ATOM 0 HA PRO A 37 7.959 3.699 -15.351 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.724 5.030 -16.325 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.854 3.287 -16.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.362 4.931 -14.416 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.848 3.474 -15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.794 3.406 -12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.041 2.067 -13.795 1.00 0.00 H new ATOM 513 N GLY A 38 7.712 6.365 -15.627 1.00 0.00 N ATOM 514 CA GLY A 38 8.101 7.753 -15.453 1.00 0.00 C ATOM 515 C GLY A 38 7.119 8.714 -16.093 1.00 0.00 C ATOM 516 O GLY A 38 6.562 8.428 -17.153 1.00 0.00 O ATOM 0 H GLY A 38 7.629 6.062 -16.597 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.180 7.974 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.090 7.907 -15.885 1.00 0.00 H new ATOM 520 N GLN A 39 6.907 9.857 -15.448 1.00 0.00 N ATOM 521 CA GLN A 39 5.983 10.862 -15.961 1.00 0.00 C ATOM 522 C GLN A 39 6.284 12.233 -15.362 1.00 0.00 C ATOM 523 O GLN A 39 7.074 12.351 -14.426 1.00 0.00 O ATOM 524 CB GLN A 39 4.539 10.464 -15.653 1.00 0.00 C ATOM 525 CG GLN A 39 4.387 9.683 -14.357 1.00 0.00 C ATOM 526 CD GLN A 39 2.998 9.807 -13.761 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.043 10.163 -14.452 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.879 9.513 -12.472 1.00 0.00 N ATOM 0 H GLN A 39 7.362 10.110 -14.571 1.00 0.00 H new ATOM 0 HA GLN A 39 6.113 10.920 -17.042 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.926 11.364 -15.599 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.153 9.864 -16.477 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.606 8.632 -14.543 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.122 10.039 -13.634 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.698 9.222 -11.938 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.969 9.578 -12.016 1.00 0.00 H new ATOM 537 N GLU A 40 5.649 13.264 -15.910 1.00 0.00 N ATOM 538 CA GLU A 40 5.850 14.626 -15.430 1.00 0.00 C ATOM 539 C GLU A 40 5.738 14.690 -13.909 1.00 0.00 C ATOM 540 O GLU A 40 6.493 15.403 -13.250 1.00 0.00 O ATOM 541 CB GLU A 40 4.830 15.572 -16.067 1.00 0.00 C ATOM 542 CG GLU A 40 5.346 16.988 -16.255 1.00 0.00 C ATOM 543 CD GLU A 40 4.246 18.028 -16.161 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.306 17.974 -16.981 1.00 0.00 O ATOM 545 OE2 GLU A 40 4.326 18.895 -15.266 1.00 0.00 O ATOM 0 H GLU A 40 4.992 13.182 -16.686 1.00 0.00 H new ATOM 0 HA GLU A 40 6.854 14.939 -15.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.532 15.172 -17.036 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.935 15.600 -15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.104 17.197 -15.500 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.833 17.067 -17.227 1.00 0.00 H new ATOM 552 N GLU A 41 4.789 13.937 -13.360 1.00 0.00 N ATOM 553 CA GLU A 41 4.577 13.909 -11.918 1.00 0.00 C ATOM 554 C GLU A 41 5.148 12.632 -11.309 1.00 0.00 C ATOM 555 O GLU A 41 4.981 11.533 -11.839 1.00 0.00 O ATOM 556 CB GLU A 41 3.085 14.018 -11.597 1.00 0.00 C ATOM 557 CG GLU A 41 2.511 15.405 -11.832 1.00 0.00 C ATOM 558 CD GLU A 41 1.002 15.396 -11.974 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.308 15.479 -10.939 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.514 15.305 -13.120 1.00 0.00 O ATOM 0 H GLU A 41 4.156 13.339 -13.892 1.00 0.00 H new ATOM 0 HA GLU A 41 5.098 14.762 -11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.537 13.299 -12.207 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.925 13.740 -10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.790 16.055 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.954 15.830 -12.733 1.00 0.00 H new ATOM 567 N PRO A 42 5.838 12.777 -10.168 1.00 0.00 N ATOM 568 CA PRO A 42 6.447 11.647 -9.461 1.00 0.00 C ATOM 569 C PRO A 42 5.406 10.729 -8.829 1.00 0.00 C ATOM 570 O PRO A 42 4.305 11.163 -8.493 1.00 0.00 O ATOM 571 CB PRO A 42 7.295 12.320 -8.379 1.00 0.00 C ATOM 572 CG PRO A 42 6.639 13.638 -8.150 1.00 0.00 C ATOM 573 CD PRO A 42 6.076 14.057 -9.479 1.00 0.00 C ATOM 0 HA PRO A 42 7.019 11.007 -10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.317 11.725 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.328 12.443 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.852 13.557 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.356 14.372 -7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.155 14.628 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.774 14.687 -10.031 1.00 0.00 H new ATOM 581 N TRP A 43 5.763 9.460 -8.670 1.00 0.00 N ATOM 582 CA TRP A 43 4.858 8.481 -8.077 1.00 0.00 C ATOM 583 C TRP A 43 4.729 8.699 -6.574 1.00 0.00 C ATOM 584 O TRP A 43 5.705 8.580 -5.834 1.00 0.00 O ATOM 585 CB TRP A 43 5.355 7.061 -8.358 1.00 0.00 C ATOM 586 CG TRP A 43 4.964 6.552 -9.712 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.633 6.747 -10.886 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.812 5.763 -10.030 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.966 6.128 -11.916 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.846 5.517 -11.417 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.756 5.240 -9.279 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.865 4.771 -12.065 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.783 4.500 -9.924 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.843 4.271 -11.305 1.00 0.00 C ATOM 0 H TRP A 43 6.671 9.085 -8.943 1.00 0.00 H new ATOM 0 HA TRP A 43 3.875 8.611 -8.530 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.441 7.040 -8.270 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.960 6.388 -7.597 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.551 7.306 -10.990 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.258 6.124 -12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.701 5.411 -8.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.909 4.593 -13.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.962 4.091 -9.354 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.067 3.688 -11.779 1.00 0.00 H new ATOM 605 N ASP A 44 3.519 9.021 -6.130 1.00 0.00 N ATOM 606 CA ASP A 44 3.262 9.255 -4.713 1.00 0.00 C ATOM 607 C ASP A 44 2.592 8.042 -4.075 1.00 0.00 C ATOM 608 O ASP A 44 2.362 7.029 -4.735 1.00 0.00 O ATOM 609 CB ASP A 44 2.384 10.494 -4.531 1.00 0.00 C ATOM 610 CG ASP A 44 2.693 11.577 -5.545 1.00 0.00 C ATOM 611 OD1 ASP A 44 3.869 11.695 -5.947 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.759 12.308 -5.936 1.00 0.00 O ATOM 0 H ASP A 44 2.701 9.126 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 44 4.218 9.421 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.336 10.208 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.525 10.891 -3.526 1.00 0.00 H new ATOM 617 N ILE A 45 2.282 8.154 -2.788 1.00 0.00 N ATOM 618 CA ILE A 45 1.638 7.066 -2.061 1.00 0.00 C ATOM 619 C ILE A 45 0.204 6.861 -2.536 1.00 0.00 C ATOM 620 O ILE A 45 -0.227 5.732 -2.770 1.00 0.00 O ATOM 621 CB ILE A 45 1.632 7.330 -0.543 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.049 7.629 -0.049 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.046 6.138 0.199 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.027 6.504 -0.304 1.00 0.00 C ATOM 0 H ILE A 45 2.466 8.986 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 45 2.217 6.165 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 45 1.007 8.201 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.412 8.533 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.016 7.836 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.048 6.339 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.023 5.968 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.646 5.251 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.011 6.785 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.687 5.603 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.089 6.312 -1.375 1.00 0.00 H new ATOM 636 N ARG A 46 -0.530 7.959 -2.677 1.00 0.00 N ATOM 637 CA ARG A 46 -1.916 7.900 -3.126 1.00 0.00 C ATOM 638 C ARG A 46 -2.037 7.089 -4.413 1.00 0.00 C ATOM 639 O ARG A 46 -2.941 6.269 -4.559 1.00 0.00 O ATOM 640 CB ARG A 46 -2.464 9.311 -3.345 1.00 0.00 C ATOM 641 CG ARG A 46 -1.695 10.108 -4.386 1.00 0.00 C ATOM 642 CD ARG A 46 -2.317 11.478 -4.610 1.00 0.00 C ATOM 643 NE ARG A 46 -2.119 12.363 -3.466 1.00 0.00 N ATOM 644 CZ ARG A 46 -2.827 13.469 -3.261 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.773 13.823 -4.120 1.00 0.00 N ATOM 646 NH2 ARG A 46 -2.588 14.222 -2.195 1.00 0.00 N ATOM 0 H ARG A 46 -0.188 8.901 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.502 7.407 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.508 9.243 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.443 9.851 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.660 10.225 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.676 9.557 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.881 11.933 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.384 11.365 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.398 12.119 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.959 13.246 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.315 14.672 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.861 13.952 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.131 15.071 -2.038 1.00 0.00 H new ATOM 660 N ASN A 47 -1.118 7.327 -5.344 1.00 0.00 N ATOM 661 CA ASN A 47 -1.122 6.620 -6.619 1.00 0.00 C ATOM 662 C ASN A 47 -0.428 5.267 -6.494 1.00 0.00 C ATOM 663 O ASN A 47 -0.862 4.277 -7.084 1.00 0.00 O ATOM 664 CB ASN A 47 -0.433 7.462 -7.695 1.00 0.00 C ATOM 665 CG ASN A 47 -1.190 8.740 -8.002 1.00 0.00 C ATOM 666 OD1 ASN A 47 -2.301 8.705 -8.531 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.589 9.877 -7.671 1.00 0.00 N ATOM 0 H ASN A 47 -0.362 8.004 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.159 6.450 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.576 7.711 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.336 6.873 -8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.049 10.769 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.333 9.858 -7.234 1.00 0.00 H new ATOM 674 N LEU A 48 0.652 5.232 -5.721 1.00 0.00 N ATOM 675 CA LEU A 48 1.407 4.001 -5.517 1.00 0.00 C ATOM 676 C LEU A 48 0.471 2.826 -5.252 1.00 0.00 C ATOM 677 O LEU A 48 0.514 1.814 -5.953 1.00 0.00 O ATOM 678 CB LEU A 48 2.382 4.165 -4.349 1.00 0.00 C ATOM 679 CG LEU A 48 3.195 2.926 -3.975 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.225 2.618 -5.051 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.872 3.120 -2.626 1.00 0.00 C ATOM 0 H LEU A 48 1.024 6.042 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 48 1.971 3.794 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.075 4.971 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.817 4.483 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 48 2.515 2.078 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.794 1.733 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.718 2.435 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.902 3.465 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.446 2.228 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.540 3.980 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.115 3.291 -1.860 1.00 0.00 H new ATOM 693 N LEU A 49 -0.374 2.967 -4.237 1.00 0.00 N ATOM 694 CA LEU A 49 -1.323 1.918 -3.880 1.00 0.00 C ATOM 695 C LEU A 49 -2.006 1.356 -5.123 1.00 0.00 C ATOM 696 O LEU A 49 -2.058 0.142 -5.320 1.00 0.00 O ATOM 697 CB LEU A 49 -2.373 2.461 -2.909 1.00 0.00 C ATOM 698 CG LEU A 49 -2.036 2.343 -1.422 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.453 0.973 -1.114 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.071 3.443 -1.005 1.00 0.00 C ATOM 0 H LEU A 49 -0.422 3.797 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.771 1.113 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.543 3.512 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.312 1.938 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.956 2.460 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.219 0.908 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.178 0.202 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.543 0.826 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.842 3.343 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.151 3.359 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.527 4.416 -1.188 1.00 0.00 H new ATOM 712 N VAL A 50 -2.527 2.247 -5.960 1.00 0.00 N ATOM 713 CA VAL A 50 -3.204 1.840 -7.185 1.00 0.00 C ATOM 714 C VAL A 50 -2.442 0.722 -7.889 1.00 0.00 C ATOM 715 O VAL A 50 -2.937 -0.399 -8.009 1.00 0.00 O ATOM 716 CB VAL A 50 -3.367 3.025 -8.156 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.113 2.591 -9.409 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.084 4.179 -7.472 1.00 0.00 C ATOM 0 H VAL A 50 -2.493 3.256 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.191 1.478 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.376 3.368 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.218 3.441 -10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.555 1.799 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.101 2.221 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.191 5.007 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.071 3.851 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.505 4.506 -6.608 1.00 0.00 H new ATOM 728 N TRP A 51 -1.237 1.035 -8.351 1.00 0.00 N ATOM 729 CA TRP A 51 -0.407 0.056 -9.042 1.00 0.00 C ATOM 730 C TRP A 51 -0.234 -1.203 -8.200 1.00 0.00 C ATOM 731 O TRP A 51 -0.386 -2.319 -8.698 1.00 0.00 O ATOM 732 CB TRP A 51 0.961 0.657 -9.369 1.00 0.00 C ATOM 733 CG TRP A 51 1.815 -0.235 -10.219 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.048 -0.112 -11.559 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.546 -1.388 -9.787 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.880 -1.119 -11.986 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.200 -1.914 -10.917 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.713 -2.025 -8.554 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.007 -3.047 -10.850 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.513 -3.150 -8.489 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.152 -3.651 -9.630 1.00 0.00 C ATOM 0 H TRP A 51 -0.813 1.958 -8.260 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.908 -0.217 -9.971 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.819 1.608 -9.882 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.487 0.872 -8.439 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.639 0.663 -12.190 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.206 -1.253 -12.943 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.226 -1.645 -7.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.501 -3.435 -11.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.648 -3.651 -7.542 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.772 -4.532 -9.546 1.00 0.00 H new ATOM 752 N ILE A 52 0.083 -1.017 -6.923 1.00 0.00 N ATOM 753 CA ILE A 52 0.274 -2.139 -6.013 1.00 0.00 C ATOM 754 C ILE A 52 -1.022 -2.920 -5.823 1.00 0.00 C ATOM 755 O ILE A 52 -1.004 -4.096 -5.458 1.00 0.00 O ATOM 756 CB ILE A 52 0.782 -1.668 -4.638 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.251 -1.249 -4.728 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.602 -2.767 -3.601 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.842 -0.827 -3.401 1.00 0.00 C ATOM 0 H ILE A 52 0.213 -0.100 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 52 1.024 -2.788 -6.466 1.00 0.00 H new ATOM 0 HB ILE A 52 0.195 -0.803 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.833 -2.079 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.343 -0.425 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.966 -2.418 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.455 -3.022 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.166 -3.649 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.885 -0.544 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.284 0.023 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.783 -1.656 -2.696 1.00 0.00 H new ATOM 771 N LYS A 53 -2.147 -2.260 -6.076 1.00 0.00 N ATOM 772 CA LYS A 53 -3.453 -2.892 -5.936 1.00 0.00 C ATOM 773 C LYS A 53 -3.874 -3.565 -7.239 1.00 0.00 C ATOM 774 O LYS A 53 -4.705 -4.473 -7.240 1.00 0.00 O ATOM 775 CB LYS A 53 -4.502 -1.856 -5.523 1.00 0.00 C ATOM 776 CG LYS A 53 -4.424 -1.462 -4.059 1.00 0.00 C ATOM 777 CD LYS A 53 -5.372 -0.319 -3.738 1.00 0.00 C ATOM 778 CE LYS A 53 -6.824 -0.769 -3.782 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.763 0.386 -3.781 1.00 0.00 N ATOM 0 H LYS A 53 -2.180 -1.287 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.379 -3.655 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.381 -0.964 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.495 -2.254 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.667 -2.323 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.403 -1.169 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.143 0.078 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.220 0.492 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.990 -1.372 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.033 -1.407 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.696 0.075 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.397 1.130 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.853 0.761 -4.747 1.00 0.00 H new ATOM 793 N LYS A 54 -3.293 -3.116 -8.346 1.00 0.00 N ATOM 794 CA LYS A 54 -3.604 -3.676 -9.655 1.00 0.00 C ATOM 795 C LYS A 54 -2.513 -4.641 -10.108 1.00 0.00 C ATOM 796 O LYS A 54 -2.764 -5.829 -10.306 1.00 0.00 O ATOM 797 CB LYS A 54 -3.770 -2.557 -10.686 1.00 0.00 C ATOM 798 CG LYS A 54 -5.113 -1.852 -10.606 1.00 0.00 C ATOM 799 CD LYS A 54 -5.218 -0.991 -9.358 1.00 0.00 C ATOM 800 CE LYS A 54 -6.640 -0.496 -9.141 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.082 0.418 -10.230 1.00 0.00 N ATOM 0 H LYS A 54 -2.603 -2.365 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.541 -4.227 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.975 -1.824 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.647 -2.974 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.252 -1.230 -11.491 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.914 -2.592 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.895 -1.566 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.544 -0.139 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.317 -1.349 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.702 0.023 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.886 0.989 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.297 1.046 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.373 -0.142 -11.057 1.00 0.00 H new ATOM 815 N ASN A 55 -1.300 -4.122 -10.269 1.00 0.00 N ATOM 816 CA ASN A 55 -0.170 -4.938 -10.697 1.00 0.00 C ATOM 817 C ASN A 55 0.184 -5.977 -9.637 1.00 0.00 C ATOM 818 O ASN A 55 -0.096 -7.165 -9.800 1.00 0.00 O ATOM 819 CB ASN A 55 1.045 -4.053 -10.985 1.00 0.00 C ATOM 820 CG ASN A 55 0.887 -3.251 -12.262 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.092 -2.189 -12.199 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.472 -3.583 -13.293 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.075 -3.140 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.456 -5.460 -11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.201 -3.372 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.936 -4.677 -11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.073 -4.407 -13.295 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.355 -3.034 -14.145 1.00 0.00 H new ATOM 829 N LEU A 56 0.799 -5.521 -8.552 1.00 0.00 N ATOM 830 CA LEU A 56 1.191 -6.411 -7.464 1.00 0.00 C ATOM 831 C LEU A 56 0.009 -7.256 -7.000 1.00 0.00 C ATOM 832 O LEU A 56 0.035 -8.484 -7.095 1.00 0.00 O ATOM 833 CB LEU A 56 1.745 -5.601 -6.291 1.00 0.00 C ATOM 834 CG LEU A 56 2.808 -6.295 -5.439 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.174 -6.187 -6.098 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.841 -5.700 -4.038 1.00 0.00 C ATOM 0 H LEU A 56 1.037 -4.541 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 56 1.968 -7.079 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.169 -4.676 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.914 -5.322 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 56 2.549 -7.351 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.918 -6.687 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.143 -6.660 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.442 -5.136 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.603 -6.206 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.075 -4.637 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.868 -5.830 -3.564 1.00 0.00 H new ATOM 848 N LEU A 57 -1.027 -6.592 -6.500 1.00 0.00 N ATOM 849 CA LEU A 57 -2.220 -7.282 -6.024 1.00 0.00 C ATOM 850 C LEU A 57 -3.040 -7.823 -7.191 1.00 0.00 C ATOM 851 O LEU A 57 -3.228 -7.143 -8.200 1.00 0.00 O ATOM 852 CB LEU A 57 -3.077 -6.336 -5.179 1.00 0.00 C ATOM 853 CG LEU A 57 -4.309 -6.956 -4.519 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.936 -7.602 -3.193 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.391 -5.906 -4.317 1.00 0.00 C ATOM 0 H LEU A 57 -1.065 -5.576 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.901 -8.123 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.448 -5.908 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.405 -5.512 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.701 -7.730 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.825 -8.038 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.196 -8.384 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.519 -6.848 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.260 -6.365 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.010 -5.110 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.679 -5.490 -5.282 1.00 0.00 H new ATOM 867 N LYS A 58 -3.527 -9.050 -7.046 1.00 0.00 N ATOM 868 CA LYS A 58 -4.330 -9.683 -8.086 1.00 0.00 C ATOM 869 C LYS A 58 -5.694 -10.097 -7.544 1.00 0.00 C ATOM 870 O LYS A 58 -6.555 -10.558 -8.293 1.00 0.00 O ATOM 871 CB LYS A 58 -3.601 -10.905 -8.649 1.00 0.00 C ATOM 872 CG LYS A 58 -2.365 -10.556 -9.461 1.00 0.00 C ATOM 873 CD LYS A 58 -2.733 -9.930 -10.796 1.00 0.00 C ATOM 874 CE LYS A 58 -1.620 -10.103 -11.818 1.00 0.00 C ATOM 875 NZ LYS A 58 -0.614 -9.008 -11.732 1.00 0.00 N ATOM 0 H LYS A 58 -3.380 -9.627 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.481 -8.957 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.312 -11.557 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.290 -11.471 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.739 -9.866 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.774 -11.456 -9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.649 -10.386 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.939 -8.869 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.127 -11.062 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.047 -10.126 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.343 -9.411 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.756 -8.343 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.726 -8.504 -10.829 1.00 0.00 H new ATOM 889 N GLU A 59 -5.884 -9.927 -6.239 1.00 0.00 N ATOM 890 CA GLU A 59 -7.145 -10.283 -5.599 1.00 0.00 C ATOM 891 C GLU A 59 -8.024 -9.051 -5.407 1.00 0.00 C ATOM 892 O GLU A 59 -7.682 -7.955 -5.853 1.00 0.00 O ATOM 893 CB GLU A 59 -6.885 -10.953 -4.248 1.00 0.00 C ATOM 894 CG GLU A 59 -6.570 -12.436 -4.355 1.00 0.00 C ATOM 895 CD GLU A 59 -7.551 -13.179 -5.241 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.747 -12.818 -5.233 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.124 -14.120 -5.941 1.00 0.00 O ATOM 0 H GLU A 59 -5.182 -9.545 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.668 -10.984 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.054 -10.448 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.760 -10.821 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.562 -12.562 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.579 -12.878 -3.359 1.00 0.00 H new ATOM 904 N ARG A 60 -9.159 -9.239 -4.740 1.00 0.00 N ATOM 905 CA ARG A 60 -10.088 -8.144 -4.490 1.00 0.00 C ATOM 906 C ARG A 60 -9.434 -7.059 -3.640 1.00 0.00 C ATOM 907 O ARG A 60 -9.045 -7.284 -2.494 1.00 0.00 O ATOM 908 CB ARG A 60 -11.347 -8.664 -3.793 1.00 0.00 C ATOM 909 CG ARG A 60 -12.442 -9.095 -4.755 1.00 0.00 C ATOM 910 CD ARG A 60 -13.142 -7.896 -5.375 1.00 0.00 C ATOM 911 NE ARG A 60 -14.398 -8.270 -6.021 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.117 -7.437 -6.766 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.706 -6.191 -6.958 1.00 0.00 N ATOM 914 NH2 ARG A 60 -16.249 -7.851 -7.321 1.00 0.00 N ATOM 0 H ARG A 60 -9.457 -10.139 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.366 -7.710 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.078 -9.509 -3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.737 -7.885 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.013 -9.715 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.171 -9.710 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.339 -7.152 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.483 -7.430 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.741 -9.222 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.836 -5.870 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.260 -5.554 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.568 -8.809 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.801 -7.211 -7.893 1.00 0.00 H new ATOM 928 N PRO A 61 -9.309 -5.852 -4.213 1.00 0.00 N ATOM 929 CA PRO A 61 -8.703 -4.708 -3.525 1.00 0.00 C ATOM 930 C PRO A 61 -9.575 -4.187 -2.388 1.00 0.00 C ATOM 931 O PRO A 61 -9.099 -3.989 -1.271 1.00 0.00 O ATOM 932 CB PRO A 61 -8.579 -3.656 -4.630 1.00 0.00 C ATOM 933 CG PRO A 61 -9.638 -4.013 -5.614 1.00 0.00 C ATOM 934 CD PRO A 61 -9.751 -5.512 -5.576 1.00 0.00 C ATOM 0 HA PRO A 61 -7.754 -4.969 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.727 -2.650 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.590 -3.677 -5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.587 -3.544 -5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.375 -3.667 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.773 -5.843 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.122 -5.982 -6.332 1.00 0.00 H new ATOM 942 N GLU A 62 -10.853 -3.966 -2.681 1.00 0.00 N ATOM 943 CA GLU A 62 -11.790 -3.467 -1.682 1.00 0.00 C ATOM 944 C GLU A 62 -11.597 -4.185 -0.349 1.00 0.00 C ATOM 945 O GLU A 62 -11.912 -3.644 0.712 1.00 0.00 O ATOM 946 CB GLU A 62 -13.230 -3.645 -2.167 1.00 0.00 C ATOM 947 CG GLU A 62 -13.434 -4.881 -3.026 1.00 0.00 C ATOM 948 CD GLU A 62 -14.898 -5.238 -3.198 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.580 -5.455 -2.175 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.361 -5.298 -4.356 1.00 0.00 O ATOM 0 H GLU A 62 -11.263 -4.125 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.593 -2.405 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.891 -3.700 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.524 -2.764 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.987 -4.715 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.909 -5.723 -2.575 1.00 0.00 H new ATOM 957 N LEU A 63 -11.080 -5.407 -0.412 1.00 0.00 N ATOM 958 CA LEU A 63 -10.845 -6.201 0.789 1.00 0.00 C ATOM 959 C LEU A 63 -9.543 -5.790 1.469 1.00 0.00 C ATOM 960 O LEU A 63 -9.525 -5.472 2.658 1.00 0.00 O ATOM 961 CB LEU A 63 -10.804 -7.690 0.440 1.00 0.00 C ATOM 962 CG LEU A 63 -12.145 -8.422 0.463 1.00 0.00 C ATOM 963 CD1 LEU A 63 -13.240 -7.551 -0.133 1.00 0.00 C ATOM 964 CD2 LEU A 63 -12.045 -9.743 -0.287 1.00 0.00 C ATOM 0 H LEU A 63 -10.816 -5.870 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.667 -6.019 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.371 -7.798 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.129 -8.187 1.137 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.403 -8.634 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.187 -8.089 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.330 -6.632 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.989 -7.306 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.009 -10.251 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.764 -9.553 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.290 -10.373 0.184 1.00 0.00 H new ATOM 976 N PHE A 64 -8.456 -5.796 0.705 1.00 0.00 N ATOM 977 CA PHE A 64 -7.149 -5.422 1.233 1.00 0.00 C ATOM 978 C PHE A 64 -7.069 -3.917 1.473 1.00 0.00 C ATOM 979 O PHE A 64 -6.785 -3.469 2.584 1.00 0.00 O ATOM 980 CB PHE A 64 -6.043 -5.855 0.268 1.00 0.00 C ATOM 981 CG PHE A 64 -4.663 -5.490 0.736 1.00 0.00 C ATOM 982 CD1 PHE A 64 -4.168 -5.987 1.931 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.860 -4.651 -0.019 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.899 -5.653 2.364 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.590 -4.313 0.408 1.00 0.00 C ATOM 986 CZ PHE A 64 -2.109 -4.816 1.601 1.00 0.00 C ATOM 0 H PHE A 64 -8.454 -6.056 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.011 -5.932 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.097 -6.935 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.221 -5.397 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.781 -6.643 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.231 -4.256 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.526 -6.046 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.975 -3.657 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.116 -4.555 1.937 1.00 0.00 H new ATOM 996 N ILE A 65 -7.322 -3.142 0.423 1.00 0.00 N ATOM 997 CA ILE A 65 -7.280 -1.689 0.520 1.00 0.00 C ATOM 998 C ILE A 65 -8.499 -1.058 -0.145 1.00 0.00 C ATOM 999 O ILE A 65 -8.926 -1.489 -1.215 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.004 -1.118 -0.128 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.774 -1.492 0.702 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.113 0.392 -0.272 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.464 -1.136 0.035 1.00 0.00 C ATOM 0 H ILE A 65 -7.558 -3.497 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.280 -1.444 1.582 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.894 -1.551 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.830 -0.988 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.792 -2.564 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.204 0.780 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.970 0.637 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.244 0.843 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.636 -1.430 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.386 -1.661 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.425 -0.061 -0.139 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.053 -0.034 0.497 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.222 0.657 -0.032 1.00 0.00 C ATOM 1017 C GLN A 66 -9.843 2.031 -0.575 1.00 0.00 C ATOM 1018 O GLN A 66 -9.334 2.879 0.156 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.291 0.800 1.053 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.709 0.841 0.508 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.754 0.606 1.581 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.573 0.994 2.736 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.856 -0.033 1.206 1.00 0.00 N ATOM 0 H GLN A 66 -8.711 0.335 1.384 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.625 0.062 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.203 -0.033 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.102 1.712 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.886 1.809 0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.817 0.086 -0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.965 -0.337 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.593 -0.220 1.885 1.00 0.00 H new ATOM 1032 N GLY A 67 -10.096 2.244 -1.863 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.775 3.516 -2.481 1.00 0.00 C ATOM 1034 C GLY A 67 -8.280 3.738 -2.609 1.00 0.00 C ATOM 1035 O GLY A 67 -7.485 2.854 -2.290 1.00 0.00 O ATOM 0 H GLY A 67 -10.518 1.558 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.232 3.562 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.210 4.323 -1.891 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.898 4.921 -3.077 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.488 5.256 -3.247 1.00 0.00 C ATOM 1041 C ASP A 68 -5.747 5.177 -1.916 1.00 0.00 C ATOM 1042 O ASP A 68 -4.520 5.084 -1.882 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.344 6.657 -3.843 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.409 6.959 -4.879 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.706 6.067 -5.701 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -7.946 8.086 -4.866 1.00 0.00 O ATOM 0 H ASP A 68 -8.544 5.664 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.047 4.531 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.399 7.396 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.359 6.755 -4.300 1.00 0.00 H new ATOM 1051 N SER A 69 -6.500 5.215 -0.821 1.00 0.00 N ATOM 1052 CA SER A 69 -5.915 5.153 0.513 1.00 0.00 C ATOM 1053 C SER A 69 -5.981 3.734 1.069 1.00 0.00 C ATOM 1054 O SER A 69 -6.872 2.959 0.721 1.00 0.00 O ATOM 1055 CB SER A 69 -6.637 6.117 1.456 1.00 0.00 C ATOM 1056 OG SER A 69 -6.230 7.455 1.226 1.00 0.00 O ATOM 0 H SER A 69 -7.517 5.288 -0.832 1.00 0.00 H new ATOM 0 HA SER A 69 -4.868 5.447 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.714 6.032 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.429 5.843 2.490 1.00 0.00 H new ATOM 0 HG SER A 69 -6.165 7.616 0.262 1.00 0.00 H new ATOM 1062 N VAL A 70 -5.031 3.400 1.937 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.981 2.075 2.543 1.00 0.00 C ATOM 1064 C VAL A 70 -5.957 1.967 3.709 1.00 0.00 C ATOM 1065 O VAL A 70 -6.060 2.877 4.532 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.563 1.740 3.043 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.574 1.746 1.887 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.135 2.718 4.126 1.00 0.00 C ATOM 0 H VAL A 70 -4.286 4.029 2.236 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.264 1.362 1.769 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.576 0.739 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.578 1.507 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.873 1.002 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.562 2.733 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.131 2.466 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.138 3.731 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.829 2.659 4.965 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.672 0.849 3.773 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.641 0.622 4.839 1.00 0.00 C ATOM 1080 C ARG A 71 -7.118 1.149 6.172 1.00 0.00 C ATOM 1081 O ARG A 71 -5.916 1.337 6.364 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.961 -0.869 4.958 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.036 -1.341 3.992 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.839 -2.495 4.572 1.00 0.00 C ATOM 1085 NE ARG A 71 -9.019 -3.688 4.768 1.00 0.00 N ATOM 1086 CZ ARG A 71 -9.505 -4.854 5.179 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.800 -4.983 5.435 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -8.696 -5.894 5.334 1.00 0.00 N ATOM 0 H ARG A 71 -6.599 0.086 3.100 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.553 1.163 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.051 -1.442 4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.282 -1.083 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.705 -0.513 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.574 -1.653 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.272 -2.192 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.669 -2.731 3.905 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.019 -3.622 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.425 -4.186 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.171 -5.879 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.700 -5.799 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.070 -6.789 5.650 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.040 1.393 7.115 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.695 1.902 8.446 1.00 0.00 C ATOM 1104 C PRO A 72 -6.963 0.865 9.291 1.00 0.00 C ATOM 1105 O PRO A 72 -6.659 1.104 10.459 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.056 2.231 9.063 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.019 1.342 8.354 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.490 1.192 6.955 1.00 0.00 C ATOM 0 HA PRO A 72 -7.018 2.755 8.394 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.060 2.042 10.137 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.310 3.282 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.094 0.374 8.849 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.019 1.775 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.716 0.208 6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.926 1.928 6.280 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.683 -0.289 8.692 1.00 0.00 N ATOM 1117 CA GLY A 73 -5.989 -1.345 9.405 1.00 0.00 C ATOM 1118 C GLY A 73 -4.604 -1.608 8.848 1.00 0.00 C ATOM 1119 O GLY A 73 -3.701 -2.018 9.578 1.00 0.00 O ATOM 0 H GLY A 73 -6.924 -0.511 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.909 -1.076 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.578 -2.261 9.354 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.436 -1.373 7.551 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.151 -1.588 6.897 1.00 0.00 C ATOM 1125 C ILE A 74 -2.145 -0.514 7.296 1.00 0.00 C ATOM 1126 O ILE A 74 -2.259 0.643 6.887 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.294 -1.596 5.363 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.476 -2.473 4.945 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.009 -2.086 4.714 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.255 -3.948 5.201 1.00 0.00 C ATOM 0 H ILE A 74 -5.173 -1.034 6.933 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.789 -2.562 7.225 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.483 -0.577 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.367 -2.149 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.672 -2.322 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.126 -2.086 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.187 -1.426 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.792 -3.098 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.133 -4.508 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.384 -4.288 4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.089 -4.112 6.266 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.158 -0.903 8.096 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.129 0.026 8.549 1.00 0.00 C ATOM 1144 C LEU A 75 1.079 -0.003 7.618 1.00 0.00 C ATOM 1145 O LEU A 75 1.824 -0.982 7.581 1.00 0.00 O ATOM 1146 CB LEU A 75 0.304 -0.318 9.976 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.695 0.026 11.081 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.273 -0.608 12.398 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.825 1.535 11.232 1.00 0.00 C ATOM 0 H LEU A 75 -1.049 -1.855 8.444 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.550 1.031 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.514 -1.387 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.240 0.200 10.185 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.669 -0.377 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.996 -0.352 13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.231 -1.691 12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.711 -0.235 12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.540 1.761 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.146 1.960 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.174 1.966 10.293 1.00 0.00 H new ATOM 1161 N VAL A 76 1.268 1.079 6.869 1.00 0.00 N ATOM 1162 CA VAL A 76 2.388 1.180 5.941 1.00 0.00 C ATOM 1163 C VAL A 76 3.574 1.888 6.585 1.00 0.00 C ATOM 1164 O VAL A 76 3.411 2.668 7.525 1.00 0.00 O ATOM 1165 CB VAL A 76 1.988 1.934 4.659 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.714 1.348 4.070 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.820 3.418 4.945 1.00 0.00 C ATOM 0 H VAL A 76 0.660 1.898 6.887 1.00 0.00 H new ATOM 0 HA VAL A 76 2.675 0.161 5.680 1.00 0.00 H new ATOM 0 HB VAL A 76 2.786 1.817 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.447 1.894 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.875 0.298 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.095 1.432 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.537 3.936 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.042 3.558 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.760 3.826 5.317 1.00 0.00 H new ATOM 1177 N LEU A 77 4.769 1.613 6.074 1.00 0.00 N ATOM 1178 CA LEU A 77 5.985 2.225 6.599 1.00 0.00 C ATOM 1179 C LEU A 77 6.991 2.484 5.481 1.00 0.00 C ATOM 1180 O LEU A 77 7.421 1.557 4.794 1.00 0.00 O ATOM 1181 CB LEU A 77 6.612 1.327 7.666 1.00 0.00 C ATOM 1182 CG LEU A 77 6.163 1.582 9.106 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.189 0.291 9.910 1.00 0.00 C ATOM 1184 CD2 LEU A 77 7.042 2.638 9.759 1.00 0.00 C ATOM 0 H LEU A 77 4.922 0.970 5.297 1.00 0.00 H new ATOM 0 HA LEU A 77 5.716 3.180 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.390 0.290 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.695 1.442 7.618 1.00 0.00 H new ATOM 0 HG LEU A 77 5.138 1.953 9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.867 0.492 10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.517 -0.435 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.202 -0.110 9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.708 2.807 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.077 2.296 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.971 3.569 9.196 1.00 0.00 H new ATOM 1196 N ILE A 78 7.362 3.747 5.307 1.00 0.00 N ATOM 1197 CA ILE A 78 8.320 4.126 4.276 1.00 0.00 C ATOM 1198 C ILE A 78 9.743 4.137 4.824 1.00 0.00 C ATOM 1199 O ILE A 78 10.043 4.844 5.785 1.00 0.00 O ATOM 1200 CB ILE A 78 7.997 5.514 3.690 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.570 5.539 3.138 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.998 5.876 2.603 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.966 6.925 3.086 1.00 0.00 C ATOM 0 H ILE A 78 7.014 4.526 5.866 1.00 0.00 H new ATOM 0 HA ILE A 78 8.244 3.380 3.485 1.00 0.00 H new ATOM 0 HB ILE A 78 8.071 6.255 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.570 5.114 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.939 4.900 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.757 6.859 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.003 5.894 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.953 5.135 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.954 6.866 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.934 7.346 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.574 7.563 2.445 1.00 0.00 H new ATOM 1215 N ASN A 79 10.616 3.350 4.204 1.00 0.00 N ATOM 1216 CA ASN A 79 12.009 3.270 4.629 1.00 0.00 C ATOM 1217 C ASN A 79 12.113 3.250 6.150 1.00 0.00 C ATOM 1218 O ASN A 79 12.936 3.954 6.736 1.00 0.00 O ATOM 1219 CB ASN A 79 12.804 4.450 4.067 1.00 0.00 C ATOM 1220 CG ASN A 79 13.398 4.151 2.704 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.646 2.994 2.363 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.630 5.196 1.918 1.00 0.00 N ATOM 0 H ASN A 79 10.384 2.759 3.406 1.00 0.00 H new ATOM 0 HA ASN A 79 12.428 2.341 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.153 5.321 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.604 4.708 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.030 5.057 0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.409 6.137 2.242 1.00 0.00 H new ATOM 1229 N ASP A 80 11.273 2.439 6.785 1.00 0.00 N ATOM 1230 CA ASP A 80 11.272 2.325 8.239 1.00 0.00 C ATOM 1231 C ASP A 80 10.911 3.658 8.887 1.00 0.00 C ATOM 1232 O ASP A 80 11.601 4.125 9.794 1.00 0.00 O ATOM 1233 CB ASP A 80 12.639 1.854 8.736 1.00 0.00 C ATOM 1234 CG ASP A 80 12.870 0.378 8.483 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.132 -0.446 9.063 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.790 0.045 7.707 1.00 0.00 O ATOM 0 H ASP A 80 10.584 1.851 6.316 1.00 0.00 H new ATOM 0 HA ASP A 80 10.520 1.589 8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.421 2.431 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.723 2.054 9.804 1.00 0.00 H new ATOM 1241 N ALA A 81 9.828 4.266 8.416 1.00 0.00 N ATOM 1242 CA ALA A 81 9.376 5.544 8.950 1.00 0.00 C ATOM 1243 C ALA A 81 7.887 5.751 8.694 1.00 0.00 C ATOM 1244 O ALA A 81 7.455 5.868 7.547 1.00 0.00 O ATOM 1245 CB ALA A 81 10.181 6.684 8.344 1.00 0.00 C ATOM 0 H ALA A 81 9.247 3.894 7.665 1.00 0.00 H new ATOM 0 HA ALA A 81 9.535 5.535 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.832 7.633 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.236 6.552 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.052 6.685 7.262 1.00 0.00 H new ATOM 1251 N ASP A 82 7.107 5.794 9.769 1.00 0.00 N ATOM 1252 CA ASP A 82 5.666 5.987 9.660 1.00 0.00 C ATOM 1253 C ASP A 82 5.334 7.011 8.579 1.00 0.00 C ATOM 1254 O ASP A 82 5.667 8.190 8.704 1.00 0.00 O ATOM 1255 CB ASP A 82 5.087 6.438 11.002 1.00 0.00 C ATOM 1256 CG ASP A 82 4.736 5.271 11.904 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.780 4.537 11.578 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.418 5.091 12.935 1.00 0.00 O ATOM 0 H ASP A 82 7.449 5.698 10.725 1.00 0.00 H new ATOM 0 HA ASP A 82 5.217 5.033 9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.808 7.080 11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.194 7.038 10.826 1.00 0.00 H new ATOM 1263 N TRP A 83 4.678 6.553 7.519 1.00 0.00 N ATOM 1264 CA TRP A 83 4.303 7.430 6.416 1.00 0.00 C ATOM 1265 C TRP A 83 3.432 8.581 6.907 1.00 0.00 C ATOM 1266 O TRP A 83 3.202 9.549 6.182 1.00 0.00 O ATOM 1267 CB TRP A 83 3.561 6.638 5.338 1.00 0.00 C ATOM 1268 CG TRP A 83 2.206 6.169 5.772 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.860 5.687 7.002 1.00 0.00 C ATOM 1270 CD2 TRP A 83 1.015 6.135 4.977 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.527 5.356 7.020 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.014 5.622 5.790 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.718 6.490 3.659 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.316 5.456 5.326 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.574 6.324 3.199 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.579 5.812 4.031 1.00 0.00 C ATOM 0 H TRP A 83 4.395 5.580 7.400 1.00 0.00 H new ATOM 0 HA TRP A 83 5.216 7.846 5.989 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.455 7.260 4.449 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.162 5.775 5.053 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.535 5.582 7.838 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.022 4.974 7.820 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.485 6.887 3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.091 5.060 5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.814 6.593 2.181 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.580 5.696 3.643 1.00 0.00 H new ATOM 1287 N GLU A 84 2.952 8.470 8.142 1.00 0.00 N ATOM 1288 CA GLU A 84 2.107 9.503 8.728 1.00 0.00 C ATOM 1289 C GLU A 84 2.946 10.681 9.216 1.00 0.00 C ATOM 1290 O GLU A 84 2.521 11.835 9.139 1.00 0.00 O ATOM 1291 CB GLU A 84 1.291 8.929 9.888 1.00 0.00 C ATOM 1292 CG GLU A 84 0.442 7.730 9.500 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.748 7.535 10.419 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -0.561 6.975 11.520 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.865 7.942 10.038 1.00 0.00 O ATOM 0 H GLU A 84 3.134 7.675 8.755 1.00 0.00 H new ATOM 0 HA GLU A 84 1.426 9.860 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.970 8.639 10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.642 9.709 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.089 7.856 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.060 6.832 9.516 1.00 0.00 H new ATOM 1302 N LEU A 85 4.138 10.382 9.719 1.00 0.00 N ATOM 1303 CA LEU A 85 5.038 11.414 10.221 1.00 0.00 C ATOM 1304 C LEU A 85 5.578 12.268 9.078 1.00 0.00 C ATOM 1305 O LEU A 85 5.944 13.427 9.275 1.00 0.00 O ATOM 1306 CB LEU A 85 6.197 10.779 10.991 1.00 0.00 C ATOM 1307 CG LEU A 85 5.970 10.562 12.487 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.798 9.620 12.718 1.00 0.00 C ATOM 1309 CD2 LEU A 85 7.231 10.019 13.144 1.00 0.00 C ATOM 0 H LEU A 85 4.504 9.433 9.790 1.00 0.00 H new ATOM 0 HA LEU A 85 4.473 12.057 10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.425 9.816 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.078 11.408 10.865 1.00 0.00 H new ATOM 0 HG LEU A 85 5.732 11.523 12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.651 9.477 13.789 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.895 10.048 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.006 8.658 12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.051 9.870 14.209 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.500 9.067 12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.046 10.730 13.009 1.00 0.00 H new ATOM 1321 N LEU A 86 5.624 11.688 7.884 1.00 0.00 N ATOM 1322 CA LEU A 86 6.117 12.396 6.708 1.00 0.00 C ATOM 1323 C LEU A 86 4.961 12.933 5.871 1.00 0.00 C ATOM 1324 O LEU A 86 4.823 14.142 5.687 1.00 0.00 O ATOM 1325 CB LEU A 86 6.989 11.469 5.859 1.00 0.00 C ATOM 1326 CG LEU A 86 7.963 10.574 6.627 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.214 9.282 5.865 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.272 11.307 6.884 1.00 0.00 C ATOM 0 H LEU A 86 5.326 10.729 7.705 1.00 0.00 H new ATOM 0 HA LEU A 86 6.718 13.240 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.335 10.833 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.561 12.080 5.161 1.00 0.00 H new ATOM 0 HG LEU A 86 7.515 10.324 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.909 8.658 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.273 8.749 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.640 9.512 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.953 10.655 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.725 11.588 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.077 12.204 7.472 1.00 0.00 H new ATOM 1340 N GLY A 87 4.130 12.026 5.366 1.00 0.00 N ATOM 1341 CA GLY A 87 2.995 12.428 4.556 1.00 0.00 C ATOM 1342 C GLY A 87 2.280 11.246 3.933 1.00 0.00 C ATOM 1343 O GLY A 87 2.634 10.804 2.841 1.00 0.00 O ATOM 0 H GLY A 87 4.223 11.020 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.293 12.989 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.335 13.100 3.768 1.00 0.00 H new ATOM 1347 N GLU A 88 1.271 10.732 4.630 1.00 0.00 N ATOM 1348 CA GLU A 88 0.507 9.592 4.138 1.00 0.00 C ATOM 1349 C GLU A 88 0.370 9.642 2.619 1.00 0.00 C ATOM 1350 O GLU A 88 1.047 8.907 1.899 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.880 9.562 4.785 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.847 9.320 6.285 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.632 10.595 7.077 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -0.397 11.650 6.450 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -0.699 10.539 8.322 1.00 0.00 O ATOM 0 H GLU A 88 0.964 11.087 5.536 1.00 0.00 H new ATOM 0 HA GLU A 88 1.046 8.684 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.383 10.509 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.475 8.781 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.784 8.858 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.050 8.613 6.518 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.510 10.514 2.139 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.737 10.662 0.706 1.00 0.00 C ATOM 1364 C LEU A 89 -0.028 11.901 0.167 1.00 0.00 C ATOM 1365 O LEU A 89 -0.354 12.394 -0.913 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.235 10.749 0.413 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.087 9.582 0.914 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.567 9.896 0.761 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.731 8.304 0.169 1.00 0.00 C ATOM 0 H LEU A 89 -1.078 11.129 2.721 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.326 9.785 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.618 11.668 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.369 10.834 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.877 9.432 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.157 9.054 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.812 10.786 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.795 10.073 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.347 7.484 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.912 8.442 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.679 8.069 0.331 1.00 0.00 H new ATOM 1381 N ASP A 90 0.943 12.397 0.925 1.00 0.00 N ATOM 1382 CA ASP A 90 1.700 13.576 0.523 1.00 0.00 C ATOM 1383 C ASP A 90 3.124 13.199 0.126 1.00 0.00 C ATOM 1384 O ASP A 90 3.801 13.945 -0.582 1.00 0.00 O ATOM 1385 CB ASP A 90 1.729 14.602 1.657 1.00 0.00 C ATOM 1386 CG ASP A 90 2.601 15.799 1.333 1.00 0.00 C ATOM 1387 OD1 ASP A 90 2.351 16.452 0.298 1.00 0.00 O ATOM 1388 OD2 ASP A 90 3.533 16.083 2.114 1.00 0.00 O ATOM 0 H ASP A 90 1.225 12.001 1.822 1.00 0.00 H new ATOM 0 HA ASP A 90 1.205 14.016 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.714 14.941 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.096 14.125 2.566 1.00 0.00 H new ATOM 1393 N TYR A 91 3.572 12.037 0.587 1.00 0.00 N ATOM 1394 CA TYR A 91 4.917 11.561 0.283 1.00 0.00 C ATOM 1395 C TYR A 91 5.046 11.197 -1.193 1.00 0.00 C ATOM 1396 O TYR A 91 4.152 10.578 -1.770 1.00 0.00 O ATOM 1397 CB TYR A 91 5.260 10.350 1.151 1.00 0.00 C ATOM 1398 CG TYR A 91 6.721 9.962 1.100 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.299 9.510 -0.081 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.523 10.047 2.231 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.633 9.154 -0.133 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.858 9.695 2.188 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.408 9.249 1.004 1.00 0.00 C ATOM 1404 OH TYR A 91 10.738 8.896 0.957 1.00 0.00 O ATOM 0 H TYR A 91 3.024 11.407 1.173 1.00 0.00 H new ATOM 0 HA TYR A 91 5.618 12.366 0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.986 10.565 2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.656 9.501 0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.695 9.436 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.095 10.394 3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.066 8.804 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.468 9.769 3.076 1.00 0.00 H new ATOM 0 HH TYR A 91 11.141 9.022 1.841 1.00 0.00 H new ATOM 1414 N GLN A 92 6.164 11.586 -1.796 1.00 0.00 N ATOM 1415 CA GLN A 92 6.411 11.301 -3.204 1.00 0.00 C ATOM 1416 C GLN A 92 7.675 10.466 -3.378 1.00 0.00 C ATOM 1417 O GLN A 92 8.790 10.969 -3.228 1.00 0.00 O ATOM 1418 CB GLN A 92 6.533 12.604 -3.997 1.00 0.00 C ATOM 1419 CG GLN A 92 5.330 13.521 -3.848 1.00 0.00 C ATOM 1420 CD GLN A 92 5.416 14.745 -4.739 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.562 14.961 -5.600 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.450 15.553 -4.538 1.00 0.00 N ATOM 0 H GLN A 92 6.913 12.099 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 92 5.565 10.729 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.427 13.136 -3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.670 12.366 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.423 12.966 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.246 13.838 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.134 15.335 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.560 16.391 -5.108 1.00 0.00 H new ATOM 1431 N LEU A 93 7.496 9.188 -3.693 1.00 0.00 N ATOM 1432 CA LEU A 93 8.623 8.282 -3.886 1.00 0.00 C ATOM 1433 C LEU A 93 9.483 8.727 -5.065 1.00 0.00 C ATOM 1434 O LEU A 93 8.985 9.328 -6.016 1.00 0.00 O ATOM 1435 CB LEU A 93 8.122 6.855 -4.116 1.00 0.00 C ATOM 1436 CG LEU A 93 7.084 6.340 -3.118 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.789 4.869 -3.367 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.565 6.554 -1.690 1.00 0.00 C ATOM 0 H LEU A 93 6.581 8.756 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 93 9.235 8.305 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.694 6.798 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.980 6.183 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 93 6.162 6.904 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.048 4.520 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.401 4.742 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.706 4.290 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.814 6.182 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.500 6.016 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.726 7.618 -1.516 1.00 0.00 H new ATOM 1450 N GLN A 94 10.775 8.425 -4.995 1.00 0.00 N ATOM 1451 CA GLN A 94 11.704 8.793 -6.057 1.00 0.00 C ATOM 1452 C GLN A 94 12.365 7.555 -6.655 1.00 0.00 C ATOM 1453 O GLN A 94 12.222 7.276 -7.845 1.00 0.00 O ATOM 1454 CB GLN A 94 12.772 9.748 -5.522 1.00 0.00 C ATOM 1455 CG GLN A 94 13.016 9.612 -4.028 1.00 0.00 C ATOM 1456 CD GLN A 94 12.046 10.431 -3.200 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.425 9.923 -2.267 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.910 11.708 -3.539 1.00 0.00 N ATOM 0 H GLN A 94 11.202 7.927 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 94 11.138 9.296 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.707 9.568 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.474 10.773 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.933 8.563 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.035 9.924 -3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.445 12.088 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.271 12.309 -3.018 1.00 0.00 H new ATOM 1467 N ASP A 95 13.090 6.817 -5.821 1.00 0.00 N ATOM 1468 CA ASP A 95 13.773 5.608 -6.267 1.00 0.00 C ATOM 1469 C ASP A 95 14.395 4.869 -5.086 1.00 0.00 C ATOM 1470 O ASP A 95 14.434 5.385 -3.970 1.00 0.00 O ATOM 1471 CB ASP A 95 14.853 5.956 -7.292 1.00 0.00 C ATOM 1472 CG ASP A 95 16.014 6.712 -6.677 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.775 7.512 -5.749 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.162 6.504 -7.124 1.00 0.00 O ATOM 0 H ASP A 95 13.220 7.035 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 95 13.036 4.955 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.223 5.039 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.414 6.556 -8.089 1.00 0.00 H new ATOM 1479 N GLN A 96 14.878 3.657 -5.341 1.00 0.00 N ATOM 1480 CA GLN A 96 15.496 2.847 -4.298 1.00 0.00 C ATOM 1481 C GLN A 96 14.746 2.994 -2.979 1.00 0.00 C ATOM 1482 O GLN A 96 15.320 2.818 -1.904 1.00 0.00 O ATOM 1483 CB GLN A 96 16.961 3.246 -4.113 1.00 0.00 C ATOM 1484 CG GLN A 96 17.900 2.596 -5.117 1.00 0.00 C ATOM 1485 CD GLN A 96 17.791 1.084 -5.123 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.982 0.432 -4.096 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.484 0.517 -6.284 1.00 0.00 N ATOM 0 H GLN A 96 14.853 3.215 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 96 15.448 1.803 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.047 4.329 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.278 2.977 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.679 2.976 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.926 2.882 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.334 1.096 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.398 -0.497 -6.349 1.00 0.00 H new ATOM 1496 N ASP A 97 13.461 3.317 -3.067 1.00 0.00 N ATOM 1497 CA ASP A 97 12.631 3.487 -1.880 1.00 0.00 C ATOM 1498 C ASP A 97 11.915 2.188 -1.526 1.00 0.00 C ATOM 1499 O ASP A 97 11.340 1.529 -2.393 1.00 0.00 O ATOM 1500 CB ASP A 97 11.610 4.604 -2.101 1.00 0.00 C ATOM 1501 CG ASP A 97 12.250 5.977 -2.133 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.136 6.238 -1.293 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.866 6.791 -2.999 1.00 0.00 O ATOM 0 H ASP A 97 12.971 3.467 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 97 13.281 3.759 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.084 4.430 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.864 4.573 -1.307 1.00 0.00 H new ATOM 1508 N SER A 98 11.955 1.824 -0.249 1.00 0.00 N ATOM 1509 CA SER A 98 11.314 0.600 0.219 1.00 0.00 C ATOM 1510 C SER A 98 10.005 0.913 0.937 1.00 0.00 C ATOM 1511 O SER A 98 9.984 1.663 1.913 1.00 0.00 O ATOM 1512 CB SER A 98 12.252 -0.167 1.153 1.00 0.00 C ATOM 1513 OG SER A 98 13.497 -0.424 0.528 1.00 0.00 O ATOM 0 H SER A 98 12.425 2.359 0.481 1.00 0.00 H new ATOM 0 HA SER A 98 11.092 -0.020 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.412 0.408 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.788 -1.109 1.446 1.00 0.00 H new ATOM 0 HG SER A 98 14.079 -0.914 1.146 1.00 0.00 H new ATOM 1519 N ILE A 99 8.915 0.333 0.446 1.00 0.00 N ATOM 1520 CA ILE A 99 7.602 0.549 1.040 1.00 0.00 C ATOM 1521 C ILE A 99 7.126 -0.693 1.786 1.00 0.00 C ATOM 1522 O ILE A 99 7.065 -1.786 1.220 1.00 0.00 O ATOM 1523 CB ILE A 99 6.556 0.926 -0.025 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.164 1.885 -1.051 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.332 1.548 0.630 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.667 3.177 -0.445 1.00 0.00 C ATOM 0 H ILE A 99 8.915 -0.290 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 99 7.706 1.376 1.743 1.00 0.00 H new ATOM 0 HB ILE A 99 6.244 0.019 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.989 1.386 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.416 2.116 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.602 1.809 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.889 0.835 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.626 2.447 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.085 3.808 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.841 3.698 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.439 2.957 0.293 1.00 0.00 H new ATOM 1538 N LEU A 100 6.788 -0.519 3.059 1.00 0.00 N ATOM 1539 CA LEU A 100 6.314 -1.625 3.884 1.00 0.00 C ATOM 1540 C LEU A 100 4.804 -1.549 4.082 1.00 0.00 C ATOM 1541 O LEU A 100 4.231 -0.462 4.151 1.00 0.00 O ATOM 1542 CB LEU A 100 7.020 -1.614 5.241 1.00 0.00 C ATOM 1543 CG LEU A 100 6.643 -2.741 6.203 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.283 -4.050 5.769 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.056 -2.389 7.625 1.00 0.00 C ATOM 0 H LEU A 100 6.833 0.378 3.543 1.00 0.00 H new ATOM 0 HA LEU A 100 6.547 -2.556 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.096 -1.655 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.811 -0.662 5.729 1.00 0.00 H new ATOM 0 HG LEU A 100 5.560 -2.865 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.003 -4.840 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.938 -4.310 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.367 -3.940 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.780 -3.202 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.135 -2.237 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.550 -1.475 7.935 1.00 0.00 H new ATOM 1557 N PHE A 101 4.165 -2.710 4.176 1.00 0.00 N ATOM 1558 CA PHE A 101 2.721 -2.776 4.369 1.00 0.00 C ATOM 1559 C PHE A 101 2.351 -3.901 5.330 1.00 0.00 C ATOM 1560 O PHE A 101 2.456 -5.081 4.991 1.00 0.00 O ATOM 1561 CB PHE A 101 2.015 -2.983 3.027 1.00 0.00 C ATOM 1562 CG PHE A 101 2.175 -1.827 2.081 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.291 -1.731 1.265 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.209 -0.836 2.008 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.440 -0.668 0.395 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.352 0.229 1.139 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.469 0.313 0.331 1.00 0.00 C ATOM 0 H PHE A 101 4.625 -3.619 4.122 1.00 0.00 H new ATOM 0 HA PHE A 101 2.394 -1.831 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.405 -3.885 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.953 -3.151 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.053 -2.495 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.334 -0.897 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.315 -0.604 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.592 0.994 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.583 1.144 -0.350 1.00 0.00 H new ATOM 1577 N ILE A 102 1.919 -3.528 6.530 1.00 0.00 N ATOM 1578 CA ILE A 102 1.532 -4.506 7.540 1.00 0.00 C ATOM 1579 C ILE A 102 0.017 -4.666 7.598 1.00 0.00 C ATOM 1580 O ILE A 102 -0.715 -3.690 7.759 1.00 0.00 O ATOM 1581 CB ILE A 102 2.049 -4.108 8.935 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.576 -4.194 8.981 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.431 -4.997 10.003 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.169 -3.733 10.294 1.00 0.00 C ATOM 0 H ILE A 102 1.828 -2.556 6.827 1.00 0.00 H new ATOM 0 HA ILE A 102 1.984 -5.455 7.251 1.00 0.00 H new ATOM 0 HB ILE A 102 1.756 -3.077 9.134 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.879 -5.225 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.990 -3.591 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.806 -4.703 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.346 -4.890 9.983 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.696 -6.036 9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.255 -3.822 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.896 -2.693 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.784 -4.352 11.104 1.00 0.00 H new ATOM 1596 N SER A 103 -0.447 -5.905 7.468 1.00 0.00 N ATOM 1597 CA SER A 103 -1.875 -6.194 7.504 1.00 0.00 C ATOM 1598 C SER A 103 -2.281 -6.762 8.861 1.00 0.00 C ATOM 1599 O SER A 103 -2.188 -7.967 9.096 1.00 0.00 O ATOM 1600 CB SER A 103 -2.246 -7.180 6.395 1.00 0.00 C ATOM 1601 OG SER A 103 -1.340 -8.269 6.356 1.00 0.00 O ATOM 0 H SER A 103 0.146 -6.725 7.337 1.00 0.00 H new ATOM 0 HA SER A 103 -2.413 -5.260 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.258 -7.551 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.245 -6.667 5.433 1.00 0.00 H new ATOM 0 HG SER A 103 -1.244 -8.647 7.255 1.00 0.00 H new ATOM 1607 N THR A 104 -2.731 -5.884 9.753 1.00 0.00 N ATOM 1608 CA THR A 104 -3.149 -6.296 11.087 1.00 0.00 C ATOM 1609 C THR A 104 -4.604 -5.921 11.347 1.00 0.00 C ATOM 1610 O THR A 104 -4.919 -5.270 12.344 1.00 0.00 O ATOM 1611 CB THR A 104 -2.264 -5.660 12.175 1.00 0.00 C ATOM 1612 OG1 THR A 104 -2.726 -6.051 13.473 1.00 0.00 O ATOM 1613 CG2 THR A 104 -2.276 -4.143 12.062 1.00 0.00 C ATOM 0 H THR A 104 -2.815 -4.883 9.575 1.00 0.00 H new ATOM 0 HA THR A 104 -3.042 -7.380 11.131 1.00 0.00 H new ATOM 0 HB THR A 104 -1.242 -6.011 12.033 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.650 -5.748 13.597 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.644 -3.715 12.840 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.896 -3.848 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.296 -3.777 12.181 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.487 -6.335 10.445 1.00 0.00 N ATOM 1622 CA LEU A 105 -6.910 -6.043 10.578 1.00 0.00 C ATOM 1623 C LEU A 105 -7.751 -7.275 10.261 1.00 0.00 C ATOM 1624 O LEU A 105 -7.501 -7.975 9.279 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.303 -4.891 9.651 1.00 0.00 C ATOM 1626 CG LEU A 105 -7.764 -5.286 8.248 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.218 -5.731 8.269 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -7.572 -4.130 7.278 1.00 0.00 C ATOM 0 H LEU A 105 -5.243 -6.874 9.614 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.101 -5.752 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.102 -4.324 10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.449 -4.220 9.556 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.154 -6.123 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.528 -6.008 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.326 -6.590 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.843 -4.914 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.906 -4.430 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.156 -3.273 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.517 -3.858 7.240 1.00 0.00 H new ATOM 1640 N HIS A 106 -8.751 -7.535 11.098 1.00 0.00 N ATOM 1641 CA HIS A 106 -9.631 -8.681 10.905 1.00 0.00 C ATOM 1642 C HIS A 106 -11.095 -8.252 10.925 1.00 0.00 C ATOM 1643 O HIS A 106 -11.707 -8.147 11.987 1.00 0.00 O ATOM 1644 CB HIS A 106 -9.381 -9.731 11.988 1.00 0.00 C ATOM 1645 CG HIS A 106 -9.901 -11.091 11.636 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -9.524 -11.769 10.496 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -10.773 -11.900 12.282 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -10.143 -12.935 10.456 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -10.907 -13.040 11.528 1.00 0.00 N ATOM 0 H HIS A 106 -8.971 -6.967 11.916 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.411 -9.116 9.930 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.310 -9.798 12.176 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -9.848 -9.402 12.916 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.271 -11.688 13.217 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -10.042 -13.677 9.678 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -11.500 -13.837 11.758 1.00 0.00 H new ATOM 1658 N GLY A 107 -11.651 -8.004 9.743 1.00 0.00 N ATOM 1659 CA GLY A 107 -13.038 -7.588 9.648 1.00 0.00 C ATOM 1660 C GLY A 107 -13.633 -7.863 8.281 1.00 0.00 C ATOM 1661 O GLY A 107 -13.146 -8.720 7.545 1.00 0.00 O ATOM 0 H GLY A 107 -11.165 -8.084 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.623 -8.108 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.110 -6.522 9.865 1.00 0.00 H new ATOM 1665 N GLY A 108 -14.692 -7.135 7.941 1.00 0.00 N ATOM 1666 CA GLY A 108 -15.339 -7.321 6.655 1.00 0.00 C ATOM 1667 C GLY A 108 -16.766 -6.811 6.645 1.00 0.00 C ATOM 1668 O GLY A 108 -17.246 -6.267 7.640 1.00 0.00 O ATOM 0 H GLY A 108 -15.114 -6.420 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.766 -6.804 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.333 -8.380 6.399 1.00 0.00 H new ATOM 1672 N SER A 109 -17.447 -6.985 5.517 1.00 0.00 N ATOM 1673 CA SER A 109 -18.827 -6.534 5.379 1.00 0.00 C ATOM 1674 C SER A 109 -19.794 -7.551 5.978 1.00 0.00 C ATOM 1675 O SER A 109 -20.243 -8.472 5.298 1.00 0.00 O ATOM 1676 CB SER A 109 -19.164 -6.300 3.905 1.00 0.00 C ATOM 1677 OG SER A 109 -19.094 -7.508 3.167 1.00 0.00 O ATOM 0 H SER A 109 -17.066 -7.435 4.685 1.00 0.00 H new ATOM 0 HA SER A 109 -18.932 -5.595 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.165 -5.876 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 109 -18.472 -5.571 3.482 1.00 0.00 H new ATOM 0 HG SER A 109 -19.481 -8.237 3.695 1.00 0.00 H new ATOM 1683 N GLY A 110 -20.109 -7.375 7.258 1.00 0.00 N ATOM 1684 CA GLY A 110 -21.020 -8.284 7.928 1.00 0.00 C ATOM 1685 C GLY A 110 -20.305 -9.464 8.556 1.00 0.00 C ATOM 1686 O GLY A 110 -20.403 -10.598 8.086 1.00 0.00 O ATOM 0 H GLY A 110 -19.750 -6.620 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.567 -7.742 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.756 -8.649 7.212 1.00 0.00 H new ATOM 1690 N PRO A 111 -19.564 -9.202 9.643 1.00 0.00 N ATOM 1691 CA PRO A 111 -18.814 -10.239 10.358 1.00 0.00 C ATOM 1692 C PRO A 111 -19.728 -11.212 11.095 1.00 0.00 C ATOM 1693 O PRO A 111 -20.841 -10.859 11.483 1.00 0.00 O ATOM 1694 CB PRO A 111 -17.968 -9.441 11.353 1.00 0.00 C ATOM 1695 CG PRO A 111 -18.726 -8.176 11.566 1.00 0.00 C ATOM 1696 CD PRO A 111 -19.402 -7.874 10.258 1.00 0.00 C ATOM 0 HA PRO A 111 -18.228 -10.859 9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -17.837 -9.986 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -16.972 -9.244 10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -19.457 -8.289 12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -18.058 -7.365 11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -20.362 -7.380 10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -18.797 -7.214 9.636 1.00 0.00 H new ATOM 1704 N SER A 112 -19.250 -12.438 11.284 1.00 0.00 N ATOM 1705 CA SER A 112 -20.026 -13.463 11.971 1.00 0.00 C ATOM 1706 C SER A 112 -19.358 -13.861 13.284 1.00 0.00 C ATOM 1707 O SER A 112 -20.018 -13.997 14.313 1.00 0.00 O ATOM 1708 CB SER A 112 -20.192 -14.693 11.077 1.00 0.00 C ATOM 1709 OG SER A 112 -18.934 -15.208 10.679 1.00 0.00 O ATOM 0 H SER A 112 -18.329 -12.745 10.971 1.00 0.00 H new ATOM 0 HA SER A 112 -21.010 -13.050 12.194 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.751 -15.462 11.611 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.776 -14.429 10.195 1.00 0.00 H new ATOM 0 HG SER A 112 -19.068 -15.995 10.110 1.00 0.00 H new ATOM 1715 N SER A 113 -18.042 -14.047 13.238 1.00 0.00 N ATOM 1716 CA SER A 113 -17.283 -14.434 14.421 1.00 0.00 C ATOM 1717 C SER A 113 -16.911 -13.210 15.252 1.00 0.00 C ATOM 1718 O SER A 113 -17.315 -13.082 16.407 1.00 0.00 O ATOM 1719 CB SER A 113 -16.018 -15.194 14.016 1.00 0.00 C ATOM 1720 OG SER A 113 -15.392 -15.779 15.144 1.00 0.00 O ATOM 0 H SER A 113 -17.480 -13.936 12.394 1.00 0.00 H new ATOM 0 HA SER A 113 -17.911 -15.086 15.028 1.00 0.00 H new ATOM 0 HB2 SER A 113 -16.272 -15.970 13.294 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.324 -14.514 13.523 1.00 0.00 H new ATOM 0 HG SER A 113 -14.587 -16.260 14.859 1.00 0.00 H new ATOM 1726 N GLY A 114 -16.135 -12.310 14.654 1.00 0.00 N ATOM 1727 CA GLY A 114 -15.720 -11.107 15.352 1.00 0.00 C ATOM 1728 C GLY A 114 -16.866 -10.140 15.572 1.00 0.00 C ATOM 1729 O GLY A 114 -17.627 -10.276 16.530 1.00 0.00 O ATOM 0 H GLY A 114 -15.787 -12.393 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.289 -11.380 16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.935 -10.611 14.781 1.00 0.00 H new TER 1733 GLY A 114