USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 77:sc= 0.175 USER MOD Set 1.2: A 13 GLN : amide:sc= -0.308 K(o=-0.13,f=-3.2!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 170:sc= -0.0816 (180deg=-0.102) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -34:sc= -0.135 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 14:sc= 0.743! USER MOD Single : A 20 MET CE :methyl -145:sc= -9.03! (180deg=-12.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00583 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 140:sc= 0.0669 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -0.0617 (180deg=-0.526) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -154:sc= -1.81! (180deg=-3.04!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.161) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.829 -43.501 6.632 1.00 0.00 N ATOM 2 CA HIS A 1 3.127 -43.046 5.396 1.00 0.00 C ATOM 3 C HIS A 1 1.884 -42.232 5.764 1.00 0.00 C ATOM 4 O HIS A 1 1.123 -41.824 4.909 1.00 0.00 O ATOM 5 CB HIS A 1 2.732 -44.331 4.669 1.00 0.00 C ATOM 6 CG HIS A 1 3.817 -44.711 3.699 1.00 0.00 C ATOM 7 ND1 HIS A 1 3.831 -44.252 2.391 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.931 -45.501 3.831 1.00 0.00 C ATOM 9 CE1 HIS A 1 4.921 -44.767 1.793 1.00 0.00 C ATOM 10 NE2 HIS A 1 5.627 -45.536 2.627 1.00 0.00 N ATOM 0 H1 HIS A 1 4.567 -44.188 6.379 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.264 -42.683 7.105 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.145 -43.949 7.275 1.00 0.00 H new ATOM 0 HA HIS A 1 3.754 -42.405 4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.574 -45.135 5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.790 -44.187 4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 1 5.223 -46.018 4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 1 5.192 -44.581 0.764 1.00 0.00 H new ATOM 0 HE2 HIS A 1 6.490 -46.040 2.424 1.00 0.00 H new ATOM 20 N PHE A 2 1.672 -41.993 7.029 1.00 0.00 N ATOM 21 CA PHE A 2 0.478 -41.205 7.450 1.00 0.00 C ATOM 22 C PHE A 2 0.915 -39.845 7.999 1.00 0.00 C ATOM 23 O PHE A 2 0.608 -39.490 9.120 1.00 0.00 O ATOM 24 CB PHE A 2 -0.183 -42.043 8.546 1.00 0.00 C ATOM 25 CG PHE A 2 -1.417 -41.333 9.058 1.00 0.00 C ATOM 26 CD1 PHE A 2 -2.079 -40.399 8.251 1.00 0.00 C ATOM 27 CD2 PHE A 2 -1.897 -41.611 10.343 1.00 0.00 C ATOM 28 CE1 PHE A 2 -3.221 -39.746 8.728 1.00 0.00 C ATOM 29 CE2 PHE A 2 -3.039 -40.957 10.820 1.00 0.00 C ATOM 30 CZ PHE A 2 -3.701 -40.025 10.014 1.00 0.00 C ATOM 0 H PHE A 2 2.274 -42.309 7.790 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.204 -41.009 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.453 -43.024 8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 2 0.519 -42.208 9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.708 -40.183 7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.386 -42.330 10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -3.732 -39.027 8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.409 -41.172 11.811 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.582 -39.521 10.383 1.00 0.00 H new ATOM 40 N ALA A 3 1.632 -39.082 7.220 1.00 0.00 N ATOM 41 CA ALA A 3 2.090 -37.747 7.699 1.00 0.00 C ATOM 42 C ALA A 3 1.830 -36.682 6.629 1.00 0.00 C ATOM 43 O ALA A 3 2.104 -36.880 5.462 1.00 0.00 O ATOM 44 CB ALA A 3 3.591 -37.908 7.941 1.00 0.00 C ATOM 0 H ALA A 3 1.920 -39.325 6.272 1.00 0.00 H new ATOM 0 HA ALA A 3 1.563 -37.428 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.005 -36.965 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.758 -38.683 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.081 -38.191 7.010 1.00 0.00 H new ATOM 50 N ALA A 4 1.306 -35.553 7.020 1.00 0.00 N ATOM 51 CA ALA A 4 1.031 -34.476 6.026 1.00 0.00 C ATOM 52 C ALA A 4 0.713 -33.162 6.747 1.00 0.00 C ATOM 53 O ALA A 4 1.012 -32.995 7.913 1.00 0.00 O ATOM 54 CB ALA A 4 -0.185 -34.964 5.238 1.00 0.00 C ATOM 0 H ALA A 4 1.056 -35.329 7.983 1.00 0.00 H new ATOM 0 HA ALA A 4 1.885 -34.284 5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.451 -34.223 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.053 -35.909 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.025 -35.108 5.917 1.00 0.00 H new ATOM 60 N ASP A 5 0.109 -32.228 6.063 1.00 0.00 N ATOM 61 CA ASP A 5 -0.226 -30.927 6.711 1.00 0.00 C ATOM 62 C ASP A 5 -1.634 -30.481 6.307 1.00 0.00 C ATOM 63 O ASP A 5 -1.825 -29.410 5.765 1.00 0.00 O ATOM 64 CB ASP A 5 0.819 -29.944 6.185 1.00 0.00 C ATOM 65 CG ASP A 5 1.999 -29.885 7.159 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.781 -30.119 8.336 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.098 -29.607 6.710 1.00 0.00 O ATOM 0 H ASP A 5 -0.167 -32.309 5.084 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.214 -30.992 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.163 -30.255 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.378 -28.954 6.071 1.00 0.00 H new ATOM 72 N CYS A 6 -2.622 -31.292 6.569 1.00 0.00 N ATOM 73 CA CYS A 6 -4.016 -30.914 6.203 1.00 0.00 C ATOM 74 C CYS A 6 -4.697 -30.218 7.383 1.00 0.00 C ATOM 75 O CYS A 6 -4.253 -30.314 8.510 1.00 0.00 O ATOM 76 CB CYS A 6 -4.717 -32.238 5.885 1.00 0.00 C ATOM 77 SG CYS A 6 -3.660 -33.246 4.813 1.00 0.00 S ATOM 0 H CYS A 6 -2.524 -32.201 7.021 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.050 -30.223 5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.935 -32.776 6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.672 -32.047 5.395 1.00 0.00 H new ATOM 82 N CYS A 7 -5.771 -29.517 7.139 1.00 0.00 N ATOM 83 CA CYS A 7 -6.467 -28.819 8.253 1.00 0.00 C ATOM 84 C CYS A 7 -7.978 -28.798 8.009 1.00 0.00 C ATOM 85 O CYS A 7 -8.435 -28.710 6.887 1.00 0.00 O ATOM 86 CB CYS A 7 -5.913 -27.397 8.232 1.00 0.00 C ATOM 87 SG CYS A 7 -5.083 -27.049 9.803 1.00 0.00 S ATOM 0 H CYS A 7 -6.194 -29.399 6.219 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.305 -29.314 9.211 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.213 -27.280 7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.720 -26.683 8.069 1.00 0.00 H new ATOM 92 N THR A 8 -8.753 -28.868 9.054 1.00 0.00 N ATOM 93 CA THR A 8 -10.234 -28.840 8.889 1.00 0.00 C ATOM 94 C THR A 8 -10.752 -27.432 9.184 1.00 0.00 C ATOM 95 O THR A 8 -11.806 -27.034 8.726 1.00 0.00 O ATOM 96 CB THR A 8 -10.769 -29.840 9.917 1.00 0.00 C ATOM 97 OG1 THR A 8 -10.454 -29.384 11.225 1.00 0.00 O ATOM 98 CG2 THR A 8 -10.127 -31.208 9.683 1.00 0.00 C ATOM 0 H THR A 8 -8.425 -28.944 10.017 1.00 0.00 H new ATOM 0 HA THR A 8 -10.550 -29.098 7.878 1.00 0.00 H new ATOM 0 HB THR A 8 -11.850 -29.927 9.812 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.797 -30.022 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.509 -31.919 10.416 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.369 -31.556 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.045 -31.125 9.788 1.00 0.00 H new ATOM 106 N SER A 9 -10.010 -26.674 9.944 1.00 0.00 N ATOM 107 CA SER A 9 -10.439 -25.286 10.272 1.00 0.00 C ATOM 108 C SER A 9 -9.301 -24.307 9.967 1.00 0.00 C ATOM 109 O SER A 9 -8.312 -24.665 9.359 1.00 0.00 O ATOM 110 CB SER A 9 -10.744 -25.307 11.770 1.00 0.00 C ATOM 111 OG SER A 9 -11.990 -24.670 12.008 1.00 0.00 O ATOM 0 H SER A 9 -9.120 -26.959 10.354 1.00 0.00 H new ATOM 0 HA SER A 9 -11.303 -24.967 9.689 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.774 -26.335 12.132 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.952 -24.798 12.320 1.00 0.00 H new ATOM 0 HG SER A 9 -12.187 -24.685 12.968 1.00 0.00 H new ATOM 117 N TYR A 10 -9.429 -23.078 10.380 1.00 0.00 N ATOM 118 CA TYR A 10 -8.346 -22.090 10.106 1.00 0.00 C ATOM 119 C TYR A 10 -8.296 -21.031 11.210 1.00 0.00 C ATOM 120 O TYR A 10 -9.026 -21.095 12.179 1.00 0.00 O ATOM 121 CB TYR A 10 -8.724 -21.463 8.763 1.00 0.00 C ATOM 122 CG TYR A 10 -8.748 -22.541 7.706 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.554 -23.149 7.303 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.963 -22.938 7.138 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.574 -24.156 6.329 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.985 -23.944 6.163 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.790 -24.553 5.760 1.00 0.00 C ATOM 128 OH TYR A 10 -8.812 -25.545 4.800 1.00 0.00 O ATOM 0 H TYR A 10 -10.232 -22.714 10.893 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.359 -22.551 10.078 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.700 -20.983 8.833 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.006 -20.688 8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.617 -22.842 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.884 -22.469 7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.653 -24.625 6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.923 -24.250 5.723 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.000 -25.490 4.254 1.00 0.00 H new ATOM 138 N ILE A 11 -7.439 -20.056 11.071 1.00 0.00 N ATOM 139 CA ILE A 11 -7.343 -18.995 12.114 1.00 0.00 C ATOM 140 C ILE A 11 -8.647 -18.190 12.152 1.00 0.00 C ATOM 141 O ILE A 11 -9.427 -18.215 11.221 1.00 0.00 O ATOM 142 CB ILE A 11 -6.155 -18.110 11.701 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.571 -17.152 10.580 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.989 -18.977 11.222 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.801 -17.934 9.286 1.00 0.00 C ATOM 0 H ILE A 11 -6.802 -19.948 10.282 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.192 -19.406 13.112 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.840 -17.532 12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.481 -16.622 10.862 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.798 -16.399 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.155 -18.338 10.933 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.675 -19.641 12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.305 -19.571 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.097 -17.247 8.493 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.881 -18.443 9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.590 -18.670 9.441 1.00 0.00 H new ATOM 157 N SER A 12 -8.895 -17.484 13.222 1.00 0.00 N ATOM 158 CA SER A 12 -10.156 -16.689 13.310 1.00 0.00 C ATOM 159 C SER A 12 -9.899 -15.234 12.908 1.00 0.00 C ATOM 160 O SER A 12 -10.758 -14.384 13.031 1.00 0.00 O ATOM 161 CB SER A 12 -10.590 -16.773 14.777 1.00 0.00 C ATOM 162 OG SER A 12 -9.527 -17.285 15.566 1.00 0.00 O ATOM 0 H SER A 12 -8.283 -17.423 14.036 1.00 0.00 H new ATOM 0 HA SER A 12 -10.925 -17.072 12.639 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.879 -15.786 15.137 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.466 -17.415 14.870 1.00 0.00 H new ATOM 0 HG SER A 12 -8.864 -16.580 15.719 1.00 0.00 H new ATOM 168 N GLN A 13 -8.723 -14.942 12.426 1.00 0.00 N ATOM 169 CA GLN A 13 -8.410 -13.545 12.011 1.00 0.00 C ATOM 170 C GLN A 13 -7.270 -13.550 10.989 1.00 0.00 C ATOM 171 O GLN A 13 -6.646 -14.563 10.753 1.00 0.00 O ATOM 172 CB GLN A 13 -7.980 -12.834 13.296 1.00 0.00 C ATOM 173 CG GLN A 13 -6.706 -13.487 13.836 1.00 0.00 C ATOM 174 CD GLN A 13 -7.025 -14.238 15.131 1.00 0.00 C ATOM 175 OE1 GLN A 13 -8.176 -14.412 15.477 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.046 -14.695 15.864 1.00 0.00 N ATOM 0 H GLN A 13 -7.964 -15.611 12.301 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.260 -13.049 11.542 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.804 -11.777 13.098 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.775 -12.891 14.040 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.296 -14.175 13.096 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.946 -12.728 14.021 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.079 -14.549 15.573 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.248 -15.199 16.728 1.00 0.00 H new ATOM 185 N SER A 14 -6.996 -12.430 10.380 1.00 0.00 N ATOM 186 CA SER A 14 -5.896 -12.383 9.374 1.00 0.00 C ATOM 187 C SER A 14 -4.679 -13.162 9.882 1.00 0.00 C ATOM 188 O SER A 14 -4.447 -13.263 11.071 1.00 0.00 O ATOM 189 CB SER A 14 -5.560 -10.899 9.223 1.00 0.00 C ATOM 190 OG SER A 14 -4.945 -10.678 7.962 1.00 0.00 O ATOM 0 H SER A 14 -7.484 -11.547 10.534 1.00 0.00 H new ATOM 0 HA SER A 14 -6.186 -12.833 8.425 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.467 -10.300 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.893 -10.583 10.025 1.00 0.00 H new ATOM 0 HG SER A 14 -4.731 -9.727 7.865 1.00 0.00 H new ATOM 196 N ILE A 15 -3.899 -13.713 8.991 1.00 0.00 N ATOM 197 CA ILE A 15 -2.700 -14.485 9.423 1.00 0.00 C ATOM 198 C ILE A 15 -1.633 -13.527 9.969 1.00 0.00 C ATOM 199 O ILE A 15 -1.384 -12.483 9.400 1.00 0.00 O ATOM 200 CB ILE A 15 -2.210 -15.189 8.154 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.018 -16.470 7.944 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.729 -15.545 8.294 1.00 0.00 C ATOM 203 CD1 ILE A 15 -2.855 -17.375 9.168 1.00 0.00 C ATOM 0 H ILE A 15 -4.041 -13.661 7.982 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.920 -15.197 10.218 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.341 -14.523 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.070 -16.230 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.677 -16.987 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.388 -16.045 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.149 -14.635 8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.594 -16.209 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.429 -18.290 9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.802 -17.624 9.298 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.217 -16.856 10.055 1.00 0.00 H new ATOM 215 N PRO A 16 -1.046 -13.920 11.065 1.00 0.00 N ATOM 216 CA PRO A 16 -0.002 -13.094 11.713 1.00 0.00 C ATOM 217 C PRO A 16 1.357 -13.291 11.030 1.00 0.00 C ATOM 218 O PRO A 16 2.211 -13.997 11.525 1.00 0.00 O ATOM 219 CB PRO A 16 0.039 -13.634 13.136 1.00 0.00 C ATOM 220 CG PRO A 16 -0.457 -15.047 13.041 1.00 0.00 C ATOM 221 CD PRO A 16 -1.305 -15.160 11.797 1.00 0.00 C ATOM 0 HA PRO A 16 -0.215 -12.026 11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.051 -13.599 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.590 -13.041 13.800 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.381 -15.743 12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.040 -15.307 13.925 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.030 -16.034 11.207 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.362 -15.262 12.044 1.00 0.00 H new ATOM 229 N CYS A 17 1.569 -12.665 9.905 1.00 0.00 N ATOM 230 CA CYS A 17 2.880 -12.814 9.206 1.00 0.00 C ATOM 231 C CYS A 17 4.011 -12.302 10.099 1.00 0.00 C ATOM 232 O CYS A 17 5.161 -12.664 9.939 1.00 0.00 O ATOM 233 CB CYS A 17 2.764 -11.947 7.957 1.00 0.00 C ATOM 234 SG CYS A 17 2.980 -12.976 6.484 1.00 0.00 S ATOM 0 H CYS A 17 0.894 -12.058 9.439 1.00 0.00 H new ATOM 0 HA CYS A 17 3.102 -13.853 8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.791 -11.457 7.931 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.517 -11.160 7.977 1.00 0.00 H new ATOM 239 N SER A 18 3.684 -11.461 11.041 1.00 0.00 N ATOM 240 CA SER A 18 4.730 -10.909 11.954 1.00 0.00 C ATOM 241 C SER A 18 5.333 -12.014 12.828 1.00 0.00 C ATOM 242 O SER A 18 6.222 -11.771 13.621 1.00 0.00 O ATOM 243 CB SER A 18 3.999 -9.883 12.818 1.00 0.00 C ATOM 244 OG SER A 18 4.692 -9.719 14.047 1.00 0.00 O ATOM 0 H SER A 18 2.736 -11.130 11.220 1.00 0.00 H new ATOM 0 HA SER A 18 5.558 -10.467 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.936 -8.929 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.977 -10.212 13.006 1.00 0.00 H new ATOM 0 HG SER A 18 5.583 -10.120 13.976 1.00 0.00 H new ATOM 250 N LEU A 19 4.867 -13.224 12.694 1.00 0.00 N ATOM 251 CA LEU A 19 5.424 -14.331 13.515 1.00 0.00 C ATOM 252 C LEU A 19 5.575 -15.594 12.663 1.00 0.00 C ATOM 253 O LEU A 19 5.376 -16.696 13.133 1.00 0.00 O ATOM 254 CB LEU A 19 4.403 -14.550 14.632 1.00 0.00 C ATOM 255 CG LEU A 19 4.324 -13.294 15.503 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.015 -12.556 15.218 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.374 -13.693 16.979 1.00 0.00 C ATOM 0 H LEU A 19 4.123 -13.493 12.050 1.00 0.00 H new ATOM 0 HA LEU A 19 6.412 -14.097 13.911 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.425 -14.773 14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.690 -15.409 15.239 1.00 0.00 H new ATOM 0 HG LEU A 19 5.166 -12.640 15.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.959 -11.662 15.838 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.979 -12.271 14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.172 -13.209 15.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.318 -12.799 17.600 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.533 -14.347 17.208 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.307 -14.218 17.183 1.00 0.00 H new ATOM 269 N MET A 20 5.933 -15.445 11.413 1.00 0.00 N ATOM 270 CA MET A 20 6.101 -16.648 10.542 1.00 0.00 C ATOM 271 C MET A 20 7.304 -16.461 9.614 1.00 0.00 C ATOM 272 O MET A 20 7.535 -15.393 9.082 1.00 0.00 O ATOM 273 CB MET A 20 4.815 -16.783 9.703 1.00 0.00 C ATOM 274 CG MET A 20 3.617 -16.118 10.394 1.00 0.00 C ATOM 275 SD MET A 20 3.052 -17.154 11.765 1.00 0.00 S ATOM 276 CE MET A 20 1.293 -17.154 11.338 1.00 0.00 C ATOM 0 H MET A 20 6.115 -14.549 10.960 1.00 0.00 H new ATOM 0 HA MET A 20 6.272 -17.540 11.145 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.969 -16.329 8.724 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.599 -17.838 9.534 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.899 -15.132 10.763 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.808 -15.971 9.679 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.697 -17.158 12.251 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.060 -16.262 10.757 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.062 -18.042 10.749 1.00 0.00 H new ATOM 286 N LYS A 21 8.071 -17.498 9.420 1.00 0.00 N ATOM 287 CA LYS A 21 9.263 -17.399 8.532 1.00 0.00 C ATOM 288 C LYS A 21 8.911 -17.832 7.104 1.00 0.00 C ATOM 289 O LYS A 21 9.406 -17.282 6.141 1.00 0.00 O ATOM 290 CB LYS A 21 10.286 -18.356 9.145 1.00 0.00 C ATOM 291 CG LYS A 21 11.416 -18.611 8.145 1.00 0.00 C ATOM 292 CD LYS A 21 12.650 -19.118 8.896 1.00 0.00 C ATOM 293 CE LYS A 21 13.713 -19.570 7.891 1.00 0.00 C ATOM 294 NZ LYS A 21 14.808 -20.142 8.727 1.00 0.00 N ATOM 0 H LYS A 21 7.922 -18.415 9.841 1.00 0.00 H new ATOM 0 HA LYS A 21 9.641 -16.379 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.690 -17.932 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.804 -19.297 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.101 -19.344 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.655 -17.694 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.050 -18.329 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.376 -19.947 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.314 -20.312 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.070 -18.734 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.577 -20.475 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.172 -19.410 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.440 -20.940 9.283 1.00 0.00 H new ATOM 308 N SER A 22 8.063 -18.817 6.958 1.00 0.00 N ATOM 309 CA SER A 22 7.693 -19.278 5.589 1.00 0.00 C ATOM 310 C SER A 22 6.225 -19.710 5.549 1.00 0.00 C ATOM 311 O SER A 22 5.527 -19.668 6.541 1.00 0.00 O ATOM 312 CB SER A 22 8.608 -20.471 5.312 1.00 0.00 C ATOM 313 OG SER A 22 8.557 -20.796 3.931 1.00 0.00 O ATOM 0 H SER A 22 7.613 -19.319 7.724 1.00 0.00 H new ATOM 0 HA SER A 22 7.811 -18.490 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.631 -20.233 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.297 -21.328 5.910 1.00 0.00 H new ATOM 0 HG SER A 22 9.145 -21.560 3.753 1.00 0.00 H new ATOM 319 N TYR A 23 5.753 -20.115 4.403 1.00 0.00 N ATOM 320 CA TYR A 23 4.330 -20.551 4.284 1.00 0.00 C ATOM 321 C TYR A 23 4.204 -21.616 3.188 1.00 0.00 C ATOM 322 O TYR A 23 4.939 -21.603 2.221 1.00 0.00 O ATOM 323 CB TYR A 23 3.570 -19.284 3.898 1.00 0.00 C ATOM 324 CG TYR A 23 3.958 -18.880 2.494 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.447 -19.584 1.397 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.834 -17.807 2.291 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.810 -19.213 0.097 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.197 -17.436 0.990 1.00 0.00 C ATOM 329 CZ TYR A 23 4.684 -18.139 -0.107 1.00 0.00 C ATOM 330 OH TYR A 23 5.042 -17.775 -1.388 1.00 0.00 O ATOM 0 H TYR A 23 6.293 -20.164 3.539 1.00 0.00 H new ATOM 0 HA TYR A 23 3.944 -20.993 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.496 -19.458 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.800 -18.480 4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.773 -20.413 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.230 -17.265 3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.415 -19.756 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.872 -16.608 0.833 1.00 0.00 H new ATOM 0 HH TYR A 23 5.654 -17.010 -1.352 1.00 0.00 H new ATOM 340 N PHE A 24 3.283 -22.534 3.320 1.00 0.00 N ATOM 341 CA PHE A 24 3.135 -23.580 2.264 1.00 0.00 C ATOM 342 C PHE A 24 1.684 -24.045 2.169 1.00 0.00 C ATOM 343 O PHE A 24 0.921 -23.925 3.104 1.00 0.00 O ATOM 344 CB PHE A 24 4.036 -24.734 2.709 1.00 0.00 C ATOM 345 CG PHE A 24 3.413 -25.448 3.888 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.326 -26.315 3.698 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.930 -25.248 5.174 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.762 -26.978 4.794 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.366 -25.912 6.268 1.00 0.00 C ATOM 350 CZ PHE A 24 2.281 -26.777 6.079 1.00 0.00 C ATOM 0 H PHE A 24 2.634 -22.606 4.103 1.00 0.00 H new ATOM 0 HA PHE A 24 3.411 -23.203 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.181 -25.432 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.021 -24.354 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.925 -26.470 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.766 -24.580 5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.925 -27.645 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.767 -25.758 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.845 -27.289 6.924 1.00 0.00 H new ATOM 360 N GLU A 25 1.299 -24.588 1.047 1.00 0.00 N ATOM 361 CA GLU A 25 -0.099 -25.074 0.901 1.00 0.00 C ATOM 362 C GLU A 25 -0.175 -26.540 1.327 1.00 0.00 C ATOM 363 O GLU A 25 0.757 -27.298 1.139 1.00 0.00 O ATOM 364 CB GLU A 25 -0.428 -24.923 -0.585 1.00 0.00 C ATOM 365 CG GLU A 25 0.518 -25.797 -1.410 1.00 0.00 C ATOM 366 CD GLU A 25 -0.134 -26.122 -2.756 1.00 0.00 C ATOM 367 OE1 GLU A 25 -0.200 -25.234 -3.590 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.557 -27.253 -2.930 1.00 0.00 O ATOM 0 H GLU A 25 1.892 -24.715 0.227 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.803 -24.518 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.462 -25.213 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.331 -23.880 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.464 -25.280 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.744 -26.717 -0.871 1.00 0.00 H new ATOM 375 N THR A 26 -1.266 -26.947 1.907 1.00 0.00 N ATOM 376 CA THR A 26 -1.383 -28.363 2.351 1.00 0.00 C ATOM 377 C THR A 26 -1.121 -29.312 1.179 1.00 0.00 C ATOM 378 O THR A 26 -1.160 -28.923 0.029 1.00 0.00 O ATOM 379 CB THR A 26 -2.823 -28.504 2.849 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.715 -28.376 1.750 1.00 0.00 O ATOM 381 CG2 THR A 26 -3.117 -27.411 3.877 1.00 0.00 C ATOM 0 H THR A 26 -2.081 -26.363 2.093 1.00 0.00 H new ATOM 0 HA THR A 26 -0.658 -28.614 3.125 1.00 0.00 H new ATOM 0 HB THR A 26 -2.955 -29.481 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.638 -28.468 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.143 -27.512 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.431 -27.509 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.987 -26.432 3.415 1.00 0.00 H new ATOM 389 N SER A 27 -0.851 -30.556 1.466 1.00 0.00 N ATOM 390 CA SER A 27 -0.582 -31.535 0.374 1.00 0.00 C ATOM 391 C SER A 27 -1.881 -31.884 -0.357 1.00 0.00 C ATOM 392 O SER A 27 -2.963 -31.718 0.169 1.00 0.00 O ATOM 393 CB SER A 27 -0.020 -32.767 1.082 1.00 0.00 C ATOM 394 OG SER A 27 0.921 -32.360 2.064 1.00 0.00 O ATOM 0 H SER A 27 -0.805 -30.938 2.411 1.00 0.00 H new ATOM 0 HA SER A 27 0.107 -31.142 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.827 -33.332 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.456 -33.430 0.359 1.00 0.00 H new ATOM 0 HG SER A 27 1.281 -33.150 2.520 1.00 0.00 H new ATOM 400 N SER A 28 -1.781 -32.366 -1.565 1.00 0.00 N ATOM 401 CA SER A 28 -3.012 -32.725 -2.327 1.00 0.00 C ATOM 402 C SER A 28 -3.698 -33.930 -1.682 1.00 0.00 C ATOM 403 O SER A 28 -4.809 -34.284 -2.025 1.00 0.00 O ATOM 404 CB SER A 28 -2.526 -33.073 -3.734 1.00 0.00 C ATOM 405 OG SER A 28 -1.682 -34.213 -3.675 1.00 0.00 O ATOM 0 H SER A 28 -0.902 -32.527 -2.057 1.00 0.00 H new ATOM 0 HA SER A 28 -3.739 -31.913 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.377 -33.271 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.986 -32.229 -4.163 1.00 0.00 H new ATOM 0 HG SER A 28 -1.372 -34.437 -4.577 1.00 0.00 H new ATOM 411 N GLU A 29 -3.044 -34.560 -0.751 1.00 0.00 N ATOM 412 CA GLU A 29 -3.655 -35.743 -0.079 1.00 0.00 C ATOM 413 C GLU A 29 -4.759 -35.291 0.880 1.00 0.00 C ATOM 414 O GLU A 29 -5.604 -36.066 1.280 1.00 0.00 O ATOM 415 CB GLU A 29 -2.510 -36.400 0.690 1.00 0.00 C ATOM 416 CG GLU A 29 -2.510 -37.905 0.411 1.00 0.00 C ATOM 417 CD GLU A 29 -1.074 -38.383 0.193 1.00 0.00 C ATOM 418 OE1 GLU A 29 -0.184 -37.826 0.813 1.00 0.00 O ATOM 419 OE2 GLU A 29 -0.889 -39.301 -0.591 1.00 0.00 O ATOM 0 H GLU A 29 -2.111 -34.309 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.113 -36.431 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.558 -35.963 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.622 -36.217 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.960 -38.441 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.115 -38.122 -0.469 1.00 0.00 H new ATOM 426 N CYS A 30 -4.757 -34.039 1.250 1.00 0.00 N ATOM 427 CA CYS A 30 -5.796 -33.530 2.176 1.00 0.00 C ATOM 428 C CYS A 30 -7.150 -33.462 1.465 1.00 0.00 C ATOM 429 O CYS A 30 -7.228 -33.173 0.288 1.00 0.00 O ATOM 430 CB CYS A 30 -5.309 -32.132 2.542 1.00 0.00 C ATOM 431 SG CYS A 30 -3.584 -32.214 3.080 1.00 0.00 S ATOM 0 H CYS A 30 -4.073 -33.346 0.946 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.936 -34.166 3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.402 -31.467 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.929 -31.716 3.336 1.00 0.00 H new ATOM 436 N SER A 31 -8.217 -33.724 2.169 1.00 0.00 N ATOM 437 CA SER A 31 -9.561 -33.671 1.527 1.00 0.00 C ATOM 438 C SER A 31 -9.824 -32.269 0.980 1.00 0.00 C ATOM 439 O SER A 31 -10.723 -32.052 0.191 1.00 0.00 O ATOM 440 CB SER A 31 -10.551 -34.008 2.642 1.00 0.00 C ATOM 441 OG SER A 31 -10.862 -35.393 2.598 1.00 0.00 O ATOM 0 H SER A 31 -8.217 -33.972 3.158 1.00 0.00 H new ATOM 0 HA SER A 31 -9.647 -34.362 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.124 -33.751 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.459 -33.417 2.527 1.00 0.00 H new ATOM 0 HG SER A 31 -11.495 -35.609 3.314 1.00 0.00 H new ATOM 447 N LYS A 32 -9.040 -31.318 1.393 1.00 0.00 N ATOM 448 CA LYS A 32 -9.230 -29.922 0.903 1.00 0.00 C ATOM 449 C LYS A 32 -7.901 -29.162 0.948 1.00 0.00 C ATOM 450 O LYS A 32 -6.981 -29.560 1.634 1.00 0.00 O ATOM 451 CB LYS A 32 -10.241 -29.299 1.864 1.00 0.00 C ATOM 452 CG LYS A 32 -9.609 -29.146 3.249 1.00 0.00 C ATOM 453 CD LYS A 32 -10.434 -28.163 4.080 1.00 0.00 C ATOM 454 CE LYS A 32 -11.912 -28.553 4.008 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.584 -27.688 5.018 1.00 0.00 N ATOM 0 H LYS A 32 -8.271 -31.444 2.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.579 -29.889 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.561 -28.326 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.131 -29.925 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.565 -30.114 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.584 -28.788 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.094 -28.171 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.296 -27.148 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.317 -28.384 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.054 -29.610 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.603 -27.895 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.182 -27.876 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.437 -26.688 4.772 1.00 0.00 H new ATOM 469 N PRO A 33 -7.850 -28.089 0.209 1.00 0.00 N ATOM 470 CA PRO A 33 -6.623 -27.256 0.158 1.00 0.00 C ATOM 471 C PRO A 33 -6.442 -26.479 1.466 1.00 0.00 C ATOM 472 O PRO A 33 -7.161 -26.681 2.425 1.00 0.00 O ATOM 473 CB PRO A 33 -6.886 -26.305 -1.006 1.00 0.00 C ATOM 474 CG PRO A 33 -8.376 -26.230 -1.117 1.00 0.00 C ATOM 475 CD PRO A 33 -8.920 -27.552 -0.640 1.00 0.00 C ATOM 0 HA PRO A 33 -5.714 -27.843 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.454 -25.322 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.440 -26.677 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.767 -25.411 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.677 -26.038 -2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.847 -27.424 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.140 -28.218 -1.474 1.00 0.00 H new ATOM 483 N GLY A 34 -5.486 -25.591 1.511 1.00 0.00 N ATOM 484 CA GLY A 34 -5.256 -24.803 2.752 1.00 0.00 C ATOM 485 C GLY A 34 -3.843 -24.215 2.726 1.00 0.00 C ATOM 486 O GLY A 34 -3.047 -24.528 1.865 1.00 0.00 O ATOM 0 H GLY A 34 -4.854 -25.378 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.993 -24.004 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.381 -25.439 3.628 1.00 0.00 H new ATOM 490 N VAL A 35 -3.525 -23.366 3.664 1.00 0.00 N ATOM 491 CA VAL A 35 -2.161 -22.763 3.694 1.00 0.00 C ATOM 492 C VAL A 35 -1.649 -22.703 5.133 1.00 0.00 C ATOM 493 O VAL A 35 -2.145 -21.950 5.945 1.00 0.00 O ATOM 494 CB VAL A 35 -2.335 -21.352 3.131 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.089 -20.522 3.449 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.524 -21.428 1.615 1.00 0.00 C ATOM 0 H VAL A 35 -4.150 -23.063 4.411 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.440 -23.343 3.119 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.210 -20.884 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.210 -19.515 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.953 -20.469 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.215 -20.990 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.648 -20.422 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.649 -21.894 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.410 -22.021 1.388 1.00 0.00 H new ATOM 506 N ILE A 36 -0.659 -23.484 5.460 1.00 0.00 N ATOM 507 CA ILE A 36 -0.128 -23.456 6.848 1.00 0.00 C ATOM 508 C ILE A 36 1.153 -22.623 6.894 1.00 0.00 C ATOM 509 O ILE A 36 2.054 -22.806 6.101 1.00 0.00 O ATOM 510 CB ILE A 36 0.145 -24.928 7.200 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.100 -25.523 7.861 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.331 -25.037 8.167 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.753 -26.881 8.480 1.00 0.00 C ATOM 0 H ILE A 36 -0.197 -24.138 4.828 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.820 -23.003 7.558 1.00 0.00 H new ATOM 0 HB ILE A 36 0.384 -25.473 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.475 -24.847 8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.895 -25.640 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.511 -26.085 8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.221 -24.613 7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.106 -24.490 9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.641 -27.304 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.399 -27.556 7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.028 -26.750 9.229 1.00 0.00 H new ATOM 525 N PHE A 37 1.243 -21.714 7.821 1.00 0.00 N ATOM 526 CA PHE A 37 2.474 -20.884 7.917 1.00 0.00 C ATOM 527 C PHE A 37 3.428 -21.503 8.941 1.00 0.00 C ATOM 528 O PHE A 37 3.023 -21.901 10.015 1.00 0.00 O ATOM 529 CB PHE A 37 2.004 -19.503 8.383 1.00 0.00 C ATOM 530 CG PHE A 37 1.119 -18.874 7.329 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.191 -19.336 7.149 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.604 -17.822 6.537 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.015 -18.749 6.182 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.780 -17.238 5.568 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.529 -17.700 5.391 1.00 0.00 C ATOM 0 H PHE A 37 0.522 -21.510 8.513 1.00 0.00 H new ATOM 0 HA PHE A 37 3.007 -20.821 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.457 -19.594 9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.865 -18.863 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.566 -20.146 7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.613 -17.463 6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.026 -19.105 6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.155 -16.430 4.957 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.165 -17.248 4.644 1.00 0.00 H new ATOM 545 N LEU A 38 4.690 -21.588 8.627 1.00 0.00 N ATOM 546 CA LEU A 38 5.652 -22.184 9.594 1.00 0.00 C ATOM 547 C LEU A 38 6.400 -21.071 10.326 1.00 0.00 C ATOM 548 O LEU A 38 7.072 -20.260 9.722 1.00 0.00 O ATOM 549 CB LEU A 38 6.611 -23.015 8.744 1.00 0.00 C ATOM 550 CG LEU A 38 6.733 -24.418 9.342 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.938 -25.436 8.217 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.928 -24.464 10.296 1.00 0.00 C ATOM 0 H LEU A 38 5.096 -21.272 7.746 1.00 0.00 H new ATOM 0 HA LEU A 38 5.161 -22.794 10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.247 -23.075 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.590 -22.537 8.707 1.00 0.00 H new ATOM 0 HG LEU A 38 5.822 -24.660 9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.025 -26.436 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.086 -25.404 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.849 -25.194 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.015 -25.463 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.839 -24.222 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.782 -23.739 11.097 1.00 0.00 H new ATOM 564 N THR A 39 6.274 -21.020 11.623 1.00 0.00 N ATOM 565 CA THR A 39 6.960 -19.951 12.400 1.00 0.00 C ATOM 566 C THR A 39 8.352 -20.410 12.830 1.00 0.00 C ATOM 567 O THR A 39 8.581 -21.574 13.091 1.00 0.00 O ATOM 568 CB THR A 39 6.080 -19.725 13.633 1.00 0.00 C ATOM 569 OG1 THR A 39 6.338 -20.749 14.585 1.00 0.00 O ATOM 570 CG2 THR A 39 4.603 -19.762 13.235 1.00 0.00 C ATOM 0 H THR A 39 5.724 -21.674 12.179 1.00 0.00 H new ATOM 0 HA THR A 39 7.089 -19.043 11.811 1.00 0.00 H new ATOM 0 HB THR A 39 6.309 -18.751 14.065 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.350 -20.363 15.486 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.984 -19.600 14.118 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.404 -18.979 12.504 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.368 -20.733 12.800 1.00 0.00 H new ATOM 578 N LYS A 40 9.279 -19.499 12.913 1.00 0.00 N ATOM 579 CA LYS A 40 10.656 -19.882 13.337 1.00 0.00 C ATOM 580 C LYS A 40 10.639 -20.348 14.795 1.00 0.00 C ATOM 581 O LYS A 40 11.516 -21.062 15.240 1.00 0.00 O ATOM 582 CB LYS A 40 11.491 -18.608 13.194 1.00 0.00 C ATOM 583 CG LYS A 40 12.935 -18.902 13.608 1.00 0.00 C ATOM 584 CD LYS A 40 13.631 -17.598 14.004 1.00 0.00 C ATOM 585 CE LYS A 40 15.077 -17.896 14.410 1.00 0.00 C ATOM 586 NZ LYS A 40 15.847 -17.864 13.135 1.00 0.00 N ATOM 0 H LYS A 40 9.145 -18.509 12.707 1.00 0.00 H new ATOM 0 HA LYS A 40 11.061 -20.699 12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.461 -18.253 12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.076 -17.815 13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.949 -19.602 14.444 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.470 -19.377 12.786 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.613 -16.896 13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.100 -17.126 14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.450 -17.154 15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.159 -18.868 14.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.850 -18.060 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.473 -18.585 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.756 -16.925 12.698 1.00 0.00 H new ATOM 600 N LYS A 41 9.645 -19.946 15.540 1.00 0.00 N ATOM 601 CA LYS A 41 9.565 -20.362 16.970 1.00 0.00 C ATOM 602 C LYS A 41 9.243 -21.852 17.074 1.00 0.00 C ATOM 603 O LYS A 41 9.309 -22.442 18.135 1.00 0.00 O ATOM 604 CB LYS A 41 8.434 -19.524 17.564 1.00 0.00 C ATOM 605 CG LYS A 41 8.761 -19.184 19.018 1.00 0.00 C ATOM 606 CD LYS A 41 8.151 -20.244 19.937 1.00 0.00 C ATOM 607 CE LYS A 41 8.393 -19.852 21.396 1.00 0.00 C ATOM 608 NZ LYS A 41 7.714 -20.911 22.193 1.00 0.00 N ATOM 0 H LYS A 41 8.884 -19.347 15.220 1.00 0.00 H new ATOM 0 HA LYS A 41 10.507 -20.207 17.497 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.303 -18.609 16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.494 -20.073 17.510 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.841 -19.142 19.159 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.368 -18.199 19.270 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.082 -20.335 19.746 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.595 -21.218 19.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.458 -19.809 21.622 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.980 -18.867 21.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.835 -20.713 23.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.700 -20.924 21.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.132 -21.836 21.969 1.00 0.00 H new ATOM 622 N GLY A 42 8.898 -22.464 15.980 1.00 0.00 N ATOM 623 CA GLY A 42 8.574 -23.918 16.008 1.00 0.00 C ATOM 624 C GLY A 42 7.060 -24.112 16.132 1.00 0.00 C ATOM 625 O GLY A 42 6.587 -24.826 16.994 1.00 0.00 O ATOM 0 H GLY A 42 8.825 -22.021 15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.938 -24.398 15.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.081 -24.396 16.846 1.00 0.00 H new ATOM 629 N ARG A 43 6.295 -23.490 15.276 1.00 0.00 N ATOM 630 CA ARG A 43 4.814 -23.647 15.345 1.00 0.00 C ATOM 631 C ARG A 43 4.221 -23.581 13.936 1.00 0.00 C ATOM 632 O ARG A 43 4.926 -23.373 12.971 1.00 0.00 O ATOM 633 CB ARG A 43 4.329 -22.469 16.189 1.00 0.00 C ATOM 634 CG ARG A 43 3.421 -22.981 17.308 1.00 0.00 C ATOM 635 CD ARG A 43 4.275 -23.414 18.500 1.00 0.00 C ATOM 636 NE ARG A 43 3.563 -24.592 19.073 1.00 0.00 N ATOM 637 CZ ARG A 43 4.218 -25.690 19.327 1.00 0.00 C ATOM 638 NH1 ARG A 43 4.800 -25.850 20.484 1.00 0.00 N ATOM 639 NH2 ARG A 43 4.291 -26.630 18.425 1.00 0.00 N ATOM 0 H ARG A 43 6.632 -22.880 14.532 1.00 0.00 H new ATOM 0 HA ARG A 43 4.514 -24.602 15.776 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.181 -21.937 16.613 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.788 -21.759 15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.724 -22.200 17.611 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.824 -23.820 16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.286 -23.677 18.187 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.366 -22.612 19.233 1.00 0.00 H new ATOM 0 HE ARG A 43 2.563 -24.539 19.266 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.742 -25.116 21.190 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.312 -26.709 20.683 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.835 -26.506 17.521 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.804 -27.489 18.624 1.00 0.00 H new ATOM 653 N GLN A 44 2.935 -23.762 13.802 1.00 0.00 N ATOM 654 CA GLN A 44 2.322 -23.708 12.443 1.00 0.00 C ATOM 655 C GLN A 44 0.882 -23.196 12.517 1.00 0.00 C ATOM 656 O GLN A 44 0.104 -23.613 13.351 1.00 0.00 O ATOM 657 CB GLN A 44 2.345 -25.149 11.935 1.00 0.00 C ATOM 658 CG GLN A 44 3.717 -25.768 12.208 1.00 0.00 C ATOM 659 CD GLN A 44 3.823 -27.110 11.481 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.897 -27.514 11.080 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.745 -27.822 11.291 1.00 0.00 N ATOM 0 H GLN A 44 2.286 -23.944 14.568 1.00 0.00 H new ATOM 0 HA GLN A 44 2.864 -23.030 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.567 -25.732 12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.131 -25.172 10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.505 -25.095 11.870 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.857 -25.910 13.280 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.844 -27.483 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.804 -28.717 10.806 1.00 0.00 H new ATOM 670 N VAL A 45 0.516 -22.309 11.632 1.00 0.00 N ATOM 671 CA VAL A 45 -0.878 -21.785 11.629 1.00 0.00 C ATOM 672 C VAL A 45 -1.645 -22.419 10.469 1.00 0.00 C ATOM 673 O VAL A 45 -1.058 -23.026 9.594 1.00 0.00 O ATOM 674 CB VAL A 45 -0.746 -20.276 11.427 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.106 -19.697 11.032 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.274 -19.629 12.730 1.00 0.00 C ATOM 0 H VAL A 45 1.125 -21.924 10.909 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.416 -22.013 12.549 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.022 -20.074 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.015 -18.621 10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.443 -20.161 10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.830 -19.897 11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.179 -18.552 12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.999 -19.829 13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.693 -20.044 13.013 1.00 0.00 H new ATOM 686 N CYS A 46 -2.943 -22.288 10.448 1.00 0.00 N ATOM 687 CA CYS A 46 -3.729 -22.901 9.338 1.00 0.00 C ATOM 688 C CYS A 46 -4.755 -21.904 8.805 1.00 0.00 C ATOM 689 O CYS A 46 -5.632 -21.468 9.519 1.00 0.00 O ATOM 690 CB CYS A 46 -4.435 -24.101 9.971 1.00 0.00 C ATOM 691 SG CYS A 46 -3.718 -25.635 9.337 1.00 0.00 S ATOM 0 H CYS A 46 -3.491 -21.786 11.147 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.098 -23.191 8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.335 -24.063 11.056 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.501 -24.067 9.747 1.00 0.00 H new ATOM 696 N ALA A 47 -4.652 -21.540 7.558 1.00 0.00 N ATOM 697 CA ALA A 47 -5.627 -20.567 6.989 1.00 0.00 C ATOM 698 C ALA A 47 -6.328 -21.157 5.764 1.00 0.00 C ATOM 699 O ALA A 47 -5.807 -22.022 5.090 1.00 0.00 O ATOM 700 CB ALA A 47 -4.791 -19.355 6.585 1.00 0.00 C ATOM 0 H ALA A 47 -3.938 -21.872 6.910 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.407 -20.310 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.440 -18.592 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.288 -18.951 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.047 -19.656 5.847 1.00 0.00 H new ATOM 706 N LYS A 48 -7.508 -20.689 5.477 1.00 0.00 N ATOM 707 CA LYS A 48 -8.261 -21.207 4.297 1.00 0.00 C ATOM 708 C LYS A 48 -7.403 -21.099 3.033 1.00 0.00 C ATOM 709 O LYS A 48 -6.319 -20.552 3.063 1.00 0.00 O ATOM 710 CB LYS A 48 -9.484 -20.296 4.183 1.00 0.00 C ATOM 711 CG LYS A 48 -10.755 -21.105 4.454 1.00 0.00 C ATOM 712 CD LYS A 48 -11.927 -20.480 3.692 1.00 0.00 C ATOM 713 CE LYS A 48 -12.456 -19.274 4.470 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.246 -19.859 5.590 1.00 0.00 N ATOM 0 H LYS A 48 -7.989 -19.965 6.011 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.535 -22.256 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.405 -19.474 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.528 -19.853 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.614 -22.140 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.969 -21.121 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.605 -20.172 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.720 -21.215 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.640 -18.655 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.076 -18.637 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.126 -19.319 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.476 -20.850 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.688 -19.817 6.467 1.00 0.00 H new ATOM 728 N PRO A 49 -7.927 -21.624 1.959 1.00 0.00 N ATOM 729 CA PRO A 49 -7.207 -21.582 0.662 1.00 0.00 C ATOM 730 C PRO A 49 -7.214 -20.156 0.106 1.00 0.00 C ATOM 731 O PRO A 49 -6.276 -19.722 -0.534 1.00 0.00 O ATOM 732 CB PRO A 49 -8.019 -22.519 -0.228 1.00 0.00 C ATOM 733 CG PRO A 49 -9.390 -22.526 0.369 1.00 0.00 C ATOM 734 CD PRO A 49 -9.225 -22.301 1.851 1.00 0.00 C ATOM 0 HA PRO A 49 -6.161 -21.878 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.039 -22.166 -1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.589 -23.521 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.008 -21.744 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.890 -23.475 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.031 -21.688 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.233 -23.241 2.402 1.00 0.00 H new ATOM 742 N SER A 50 -8.264 -19.422 0.354 1.00 0.00 N ATOM 743 CA SER A 50 -8.336 -18.020 -0.150 1.00 0.00 C ATOM 744 C SER A 50 -8.664 -17.067 1.003 1.00 0.00 C ATOM 745 O SER A 50 -9.404 -16.116 0.844 1.00 0.00 O ATOM 746 CB SER A 50 -9.467 -18.026 -1.180 1.00 0.00 C ATOM 747 OG SER A 50 -9.188 -18.989 -2.186 1.00 0.00 O ATOM 0 H SER A 50 -9.077 -19.733 0.885 1.00 0.00 H new ATOM 0 HA SER A 50 -7.394 -17.685 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.415 -18.257 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.571 -17.037 -1.627 1.00 0.00 H new ATOM 0 HG SER A 50 -9.914 -18.994 -2.845 1.00 0.00 H new ATOM 753 N GLY A 51 -8.121 -17.319 2.163 1.00 0.00 N ATOM 754 CA GLY A 51 -8.402 -16.432 3.328 1.00 0.00 C ATOM 755 C GLY A 51 -7.959 -15.004 3.005 1.00 0.00 C ATOM 756 O GLY A 51 -6.923 -14.795 2.405 1.00 0.00 O ATOM 0 H GLY A 51 -7.495 -18.101 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.466 -16.449 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.876 -16.796 4.210 1.00 0.00 H new ATOM 760 N PRO A 52 -8.765 -14.066 3.421 1.00 0.00 N ATOM 761 CA PRO A 52 -8.461 -12.634 3.177 1.00 0.00 C ATOM 762 C PRO A 52 -7.257 -12.195 4.012 1.00 0.00 C ATOM 763 O PRO A 52 -7.359 -11.983 5.205 1.00 0.00 O ATOM 764 CB PRO A 52 -9.732 -11.916 3.625 1.00 0.00 C ATOM 765 CG PRO A 52 -10.368 -12.849 4.604 1.00 0.00 C ATOM 766 CD PRO A 52 -10.021 -14.245 4.156 1.00 0.00 C ATOM 0 HA PRO A 52 -8.203 -12.419 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.503 -10.955 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.393 -11.716 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.999 -12.663 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.448 -12.707 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.898 -14.919 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.800 -14.669 3.522 1.00 0.00 H new ATOM 774 N GLY A 53 -6.116 -12.059 3.395 1.00 0.00 N ATOM 775 CA GLY A 53 -4.906 -11.639 4.152 1.00 0.00 C ATOM 776 C GLY A 53 -3.906 -12.795 4.191 1.00 0.00 C ATOM 777 O GLY A 53 -2.716 -12.591 4.309 1.00 0.00 O ATOM 0 H GLY A 53 -5.970 -12.221 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.453 -10.767 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.181 -11.347 5.165 1.00 0.00 H new ATOM 781 N VAL A 54 -4.380 -14.007 4.094 1.00 0.00 N ATOM 782 CA VAL A 54 -3.451 -15.175 4.122 1.00 0.00 C ATOM 783 C VAL A 54 -2.522 -15.136 2.912 1.00 0.00 C ATOM 784 O VAL A 54 -1.329 -15.335 3.028 1.00 0.00 O ATOM 785 CB VAL A 54 -4.356 -16.406 4.071 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.494 -17.669 4.025 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.245 -16.438 5.315 1.00 0.00 C ATOM 0 H VAL A 54 -5.368 -14.240 3.997 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.816 -15.178 5.008 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.982 -16.361 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.138 -18.548 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.861 -17.646 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.868 -17.715 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.890 -17.316 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.621 -16.483 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.859 -15.538 5.347 1.00 0.00 H new ATOM 797 N GLN A 55 -3.054 -14.874 1.751 1.00 0.00 N ATOM 798 CA GLN A 55 -2.187 -14.816 0.543 1.00 0.00 C ATOM 799 C GLN A 55 -1.265 -13.607 0.652 1.00 0.00 C ATOM 800 O GLN A 55 -0.120 -13.647 0.248 1.00 0.00 O ATOM 801 CB GLN A 55 -3.148 -14.664 -0.639 1.00 0.00 C ATOM 802 CG GLN A 55 -2.472 -15.171 -1.914 1.00 0.00 C ATOM 803 CD GLN A 55 -3.415 -16.131 -2.643 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.390 -15.711 -3.234 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.164 -17.410 -2.625 1.00 0.00 N ATOM 0 H GLN A 55 -4.045 -14.699 1.587 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.560 -15.700 0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.063 -15.226 -0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.434 -13.619 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.217 -14.332 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.539 -15.678 -1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.345 -17.762 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.786 -18.059 -3.107 1.00 0.00 H new ATOM 814 N ASP A 56 -1.749 -12.538 1.220 1.00 0.00 N ATOM 815 CA ASP A 56 -0.887 -11.339 1.381 1.00 0.00 C ATOM 816 C ASP A 56 0.232 -11.669 2.365 1.00 0.00 C ATOM 817 O ASP A 56 1.328 -11.151 2.274 1.00 0.00 O ATOM 818 CB ASP A 56 -1.807 -10.256 1.947 1.00 0.00 C ATOM 819 CG ASP A 56 -1.115 -8.895 1.840 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.877 -8.459 0.726 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.836 -8.312 2.876 1.00 0.00 O ATOM 0 H ASP A 56 -2.700 -12.445 1.577 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.425 -11.015 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.749 -10.241 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.046 -10.474 2.988 1.00 0.00 H new ATOM 826 N CYS A 57 -0.031 -12.548 3.298 1.00 0.00 N ATOM 827 CA CYS A 57 1.022 -12.929 4.274 1.00 0.00 C ATOM 828 C CYS A 57 2.136 -13.679 3.544 1.00 0.00 C ATOM 829 O CYS A 57 3.307 -13.390 3.704 1.00 0.00 O ATOM 830 CB CYS A 57 0.320 -13.838 5.285 1.00 0.00 C ATOM 831 SG CYS A 57 1.480 -14.328 6.590 1.00 0.00 S ATOM 0 H CYS A 57 -0.929 -13.015 3.422 1.00 0.00 H new ATOM 0 HA CYS A 57 1.477 -12.069 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.533 -13.319 5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.069 -14.723 4.782 1.00 0.00 H new ATOM 836 N MET A 58 1.778 -14.636 2.730 1.00 0.00 N ATOM 837 CA MET A 58 2.814 -15.397 1.978 1.00 0.00 C ATOM 838 C MET A 58 3.504 -14.474 0.974 1.00 0.00 C ATOM 839 O MET A 58 4.657 -14.655 0.639 1.00 0.00 O ATOM 840 CB MET A 58 2.055 -16.502 1.248 1.00 0.00 C ATOM 841 CG MET A 58 1.129 -17.227 2.229 1.00 0.00 C ATOM 842 SD MET A 58 0.580 -18.789 1.498 1.00 0.00 S ATOM 843 CE MET A 58 0.037 -18.120 -0.094 1.00 0.00 C ATOM 0 H MET A 58 0.815 -14.922 2.554 1.00 0.00 H new ATOM 0 HA MET A 58 3.585 -15.803 2.633 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.473 -16.077 0.430 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.758 -17.209 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.651 -17.416 3.167 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.268 -16.601 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.732 -18.767 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.370 -17.120 0.052 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.886 -18.070 -0.776 1.00 0.00 H new ATOM 853 N LYS A 59 2.809 -13.477 0.496 1.00 0.00 N ATOM 854 CA LYS A 59 3.435 -12.540 -0.476 1.00 0.00 C ATOM 855 C LYS A 59 4.552 -11.769 0.225 1.00 0.00 C ATOM 856 O LYS A 59 5.666 -11.692 -0.255 1.00 0.00 O ATOM 857 CB LYS A 59 2.311 -11.595 -0.902 1.00 0.00 C ATOM 858 CG LYS A 59 2.410 -11.328 -2.406 1.00 0.00 C ATOM 859 CD LYS A 59 1.021 -11.437 -3.038 1.00 0.00 C ATOM 860 CE LYS A 59 1.109 -11.096 -4.526 1.00 0.00 C ATOM 861 NZ LYS A 59 -0.288 -11.217 -5.030 1.00 0.00 N ATOM 0 H LYS A 59 1.839 -13.273 0.736 1.00 0.00 H new ATOM 0 HA LYS A 59 3.873 -13.048 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.342 -12.034 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.381 -10.658 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.825 -10.336 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.089 -12.044 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.629 -12.446 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.329 -10.759 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.498 -10.089 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.778 -11.779 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.311 -10.998 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.629 -12.188 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.901 -10.550 -4.518 1.00 0.00 H new ATOM 875 N LYS A 60 4.264 -11.215 1.370 1.00 0.00 N ATOM 876 CA LYS A 60 5.309 -10.468 2.117 1.00 0.00 C ATOM 877 C LYS A 60 6.369 -11.444 2.631 1.00 0.00 C ATOM 878 O LYS A 60 7.457 -11.053 3.006 1.00 0.00 O ATOM 879 CB LYS A 60 4.570 -9.811 3.283 1.00 0.00 C ATOM 880 CG LYS A 60 4.680 -8.289 3.162 1.00 0.00 C ATOM 881 CD LYS A 60 5.722 -7.776 4.156 1.00 0.00 C ATOM 882 CE LYS A 60 6.057 -6.317 3.833 1.00 0.00 C ATOM 883 NZ LYS A 60 7.332 -6.050 4.556 1.00 0.00 N ATOM 0 H LYS A 60 3.349 -11.248 1.819 1.00 0.00 H new ATOM 0 HA LYS A 60 5.821 -9.731 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.522 -10.112 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.995 -10.143 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.963 -8.013 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.713 -7.826 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.340 -7.856 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.623 -8.388 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.172 -6.166 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.265 -5.646 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.629 -5.068 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.190 -6.196 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.068 -6.699 4.213 1.00 0.00 H new ATOM 897 N LEU A 61 6.056 -12.715 2.653 1.00 0.00 N ATOM 898 CA LEU A 61 7.043 -13.724 3.140 1.00 0.00 C ATOM 899 C LEU A 61 8.074 -14.059 2.049 1.00 0.00 C ATOM 900 O LEU A 61 8.483 -15.194 1.905 1.00 0.00 O ATOM 901 CB LEU A 61 6.206 -14.957 3.483 1.00 0.00 C ATOM 902 CG LEU A 61 6.457 -15.357 4.939 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.283 -14.135 5.844 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.458 -16.439 5.349 1.00 0.00 C ATOM 0 H LEU A 61 5.159 -13.097 2.354 1.00 0.00 H new ATOM 0 HA LEU A 61 7.610 -13.357 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.148 -14.745 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.465 -15.781 2.819 1.00 0.00 H new ATOM 0 HG LEU A 61 7.472 -15.741 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.462 -14.421 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.995 -13.362 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.268 -13.750 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.636 -16.725 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.443 -16.054 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.582 -17.311 4.706 1.00 0.00 H new ATOM 916 N LYS A 62 8.501 -13.088 1.285 1.00 0.00 N ATOM 917 CA LYS A 62 9.505 -13.360 0.219 1.00 0.00 C ATOM 918 C LYS A 62 9.095 -14.580 -0.614 1.00 0.00 C ATOM 919 O LYS A 62 9.382 -15.704 -0.253 1.00 0.00 O ATOM 920 CB LYS A 62 10.804 -13.635 0.971 1.00 0.00 C ATOM 921 CG LYS A 62 11.995 -13.335 0.059 1.00 0.00 C ATOM 922 CD LYS A 62 12.805 -12.176 0.642 1.00 0.00 C ATOM 923 CE LYS A 62 14.246 -12.629 0.882 1.00 0.00 C ATOM 924 NZ LYS A 62 14.836 -12.767 -0.479 1.00 0.00 N ATOM 0 H LYS A 62 8.196 -12.117 1.355 1.00 0.00 H new ATOM 0 HA LYS A 62 9.600 -12.528 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.855 -13.018 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.835 -14.675 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.624 -14.220 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.645 -13.081 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.789 -11.327 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.358 -11.840 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.795 -11.900 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.278 -13.574 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.874 -12.773 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.513 -13.657 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.534 -11.967 -1.071 1.00 0.00 H new ATOM 938 N PRO A 63 8.439 -14.308 -1.709 1.00 0.00 N ATOM 939 CA PRO A 63 7.987 -15.390 -2.617 1.00 0.00 C ATOM 940 C PRO A 63 9.178 -15.974 -3.382 1.00 0.00 C ATOM 941 O PRO A 63 9.512 -15.527 -4.462 1.00 0.00 O ATOM 942 CB PRO A 63 7.028 -14.682 -3.568 1.00 0.00 C ATOM 943 CG PRO A 63 7.457 -13.249 -3.555 1.00 0.00 C ATOM 944 CD PRO A 63 8.059 -12.979 -2.201 1.00 0.00 C ATOM 0 HA PRO A 63 7.521 -16.224 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.086 -15.102 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.995 -14.788 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.183 -13.057 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.607 -12.591 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.923 -12.318 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.343 -12.497 -1.535 1.00 0.00 H new ATOM 952 N TYR A 64 9.825 -16.965 -2.832 1.00 0.00 N ATOM 953 CA TYR A 64 10.996 -17.568 -3.531 1.00 0.00 C ATOM 954 C TYR A 64 11.180 -19.025 -3.099 1.00 0.00 C ATOM 955 O TYR A 64 12.237 -19.600 -3.258 1.00 0.00 O ATOM 956 CB TYR A 64 12.193 -16.725 -3.090 1.00 0.00 C ATOM 957 CG TYR A 64 12.821 -16.070 -4.296 1.00 0.00 C ATOM 958 CD1 TYR A 64 13.042 -16.812 -5.461 1.00 0.00 C ATOM 959 CD2 TYR A 64 13.185 -14.718 -4.247 1.00 0.00 C ATOM 960 CE1 TYR A 64 13.627 -16.204 -6.578 1.00 0.00 C ATOM 961 CE2 TYR A 64 13.771 -14.110 -5.363 1.00 0.00 C ATOM 962 CZ TYR A 64 13.991 -14.853 -6.529 1.00 0.00 C ATOM 963 OH TYR A 64 14.568 -14.253 -7.630 1.00 0.00 O ATOM 0 H TYR A 64 9.594 -17.383 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 64 10.873 -17.572 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.873 -15.966 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.925 -17.352 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.761 -17.854 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.013 -14.145 -3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 64 13.798 -16.777 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.053 -13.068 -5.325 1.00 0.00 H new ATOM 0 HH TYR A 64 14.758 -13.313 -7.428 1.00 0.00 H new ATOM 973 N SER A 65 10.159 -19.626 -2.551 1.00 0.00 N ATOM 974 CA SER A 65 10.280 -21.046 -2.108 1.00 0.00 C ATOM 975 C SER A 65 11.533 -21.222 -1.246 1.00 0.00 C ATOM 976 O SER A 65 12.572 -21.635 -1.721 1.00 0.00 O ATOM 977 CB SER A 65 10.397 -21.855 -3.399 1.00 0.00 C ATOM 978 OG SER A 65 9.407 -21.422 -4.320 1.00 0.00 O ATOM 0 H SER A 65 9.248 -19.197 -2.391 1.00 0.00 H new ATOM 0 HA SER A 65 9.431 -21.366 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.390 -21.730 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.273 -22.917 -3.188 1.00 0.00 H new ATOM 0 HG SER A 65 9.483 -21.939 -5.149 1.00 0.00 H new ATOM 984 N ILE A 66 11.442 -20.910 0.018 1.00 0.00 N ATOM 985 CA ILE A 66 12.629 -21.057 0.911 1.00 0.00 C ATOM 986 C ILE A 66 12.400 -22.192 1.913 1.00 0.00 C ATOM 987 O ILE A 66 11.270 -22.359 2.341 1.00 0.00 O ATOM 988 CB ILE A 66 12.744 -19.716 1.636 1.00 0.00 C ATOM 989 CG1 ILE A 66 13.218 -18.643 0.653 1.00 0.00 C ATOM 990 CG2 ILE A 66 13.752 -19.837 2.781 1.00 0.00 C ATOM 991 CD1 ILE A 66 12.098 -17.624 0.430 1.00 0.00 C ATOM 992 OXT ILE A 66 13.359 -22.873 2.236 1.00 0.00 O ATOM 0 H ILE A 66 10.598 -20.560 0.472 1.00 0.00 H new ATOM 0 HA ILE A 66 13.536 -21.301 0.358 1.00 0.00 H new ATOM 0 HB ILE A 66 11.770 -19.438 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.105 -18.144 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.500 -19.102 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.833 -18.880 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.416 -20.600 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 66 14.726 -20.117 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.436 -16.860 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.223 -18.129 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.837 -17.156 1.379 1.00 0.00 H new TER 1004 ILE A 66