USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1099 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 121 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.86) USER MOD Set 1.2: A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 MET CE :methyl 170:sc= -0.047 (180deg=-0.269) USER MOD Set 2.2: A 73 HIS : no HD1:sc= -3.13 X(o=-3.2,f=-2.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.121 (180deg=-0.414) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 20 HIS : no HD1:sc= -3.98 K(o=-4,f=-6!) USER MOD Single : A 28 ASN : amide:sc= -2.55 X(o=-2.6,f=-2.9!) USER MOD Single : A 33 MET CE :methyl -166:sc= 0 (180deg=-0.266) USER MOD Single : A 38 THR OG1 : rot -120:sc= -1.68 USER MOD Single : A 40 THR OG1 : rot 106:sc= 0.0758 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -140:sc= -0.376 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 46:sc= 0.428 USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.02 USER MOD Single : A 81 SER OG : rot 48:sc= -4.16! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.0204 (180deg=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.611) USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= -0.542 (180deg=-2.26!) USER MOD Single : A 95 HIS : no HE2:sc= -0.609 K(o=-0.61,f=-1.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 99 THR OG1 : rot -138:sc= -2.44 USER MOD Single : A 101 MET CE :methyl -146:sc= -0.215 (180deg=-1.81!) USER MOD Single : A 106 LYS NZ :NH3+ -117:sc= -0.176 (180deg=-0.595) USER MOD Single : A 109 HIS : no HD1:sc= -3.79 K(o=-3.8,f=-7.1!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl -140:sc= -4.72! (180deg=-6.09!) USER MOD Single : A 133 LYS NZ :NH3+ 144:sc= -0.227 (180deg=-0.858) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.139 0.216 16.159 1.00 0.00 N ATOM 2 CA MET A 1 0.712 1.257 15.523 1.00 0.00 C ATOM 3 C MET A 1 0.587 1.219 14.004 1.00 0.00 C ATOM 4 O MET A 1 1.552 1.483 13.286 1.00 0.00 O ATOM 5 CB MET A 1 2.165 1.021 15.941 1.00 0.00 C ATOM 6 CG MET A 1 2.616 -0.423 15.789 1.00 0.00 C ATOM 7 SD MET A 1 4.382 -0.567 15.450 1.00 0.00 S ATOM 8 CE MET A 1 5.035 -0.719 17.112 1.00 0.00 C ATOM 0 H1 MET A 1 0.103 0.139 17.168 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.140 0.479 16.062 1.00 0.00 H new ATOM 0 H3 MET A 1 0.025 -0.699 15.693 1.00 0.00 H new ATOM 0 HA MET A 1 0.381 2.241 15.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.815 1.660 15.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.289 1.324 16.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.379 -0.972 16.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.055 -0.892 14.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.120 -0.817 17.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.773 0.168 17.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.610 -1.601 17.591 1.00 0.00 H new ATOM 20 N LYS A 2 -0.606 0.891 13.520 1.00 0.00 N ATOM 21 CA LYS A 2 -0.857 0.820 12.084 1.00 0.00 C ATOM 22 C LYS A 2 -1.815 1.922 11.645 1.00 0.00 C ATOM 23 O LYS A 2 -1.604 2.570 10.619 1.00 0.00 O ATOM 24 CB LYS A 2 -1.429 -0.550 11.711 1.00 0.00 C ATOM 25 CG LYS A 2 -0.741 -1.710 12.412 1.00 0.00 C ATOM 26 CD LYS A 2 -1.531 -2.176 13.626 1.00 0.00 C ATOM 27 CE LYS A 2 -1.073 -3.547 14.098 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.028 -4.619 13.704 1.00 0.00 N ATOM 0 H LYS A 2 -1.415 0.670 14.101 1.00 0.00 H new ATOM 0 HA LYS A 2 0.092 0.961 11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.491 -0.569 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.346 -0.687 10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.622 -2.539 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.259 -1.408 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.416 -1.455 14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.592 -2.211 13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.090 -3.765 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.963 -3.539 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.679 -5.537 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.960 -4.425 14.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.114 -4.644 12.668 1.00 0.00 H new ATOM 42 N GLY A 3 -2.866 2.128 12.430 1.00 0.00 N ATOM 43 CA GLY A 3 -3.844 3.153 12.110 1.00 0.00 C ATOM 44 C GLY A 3 -4.799 2.736 11.007 1.00 0.00 C ATOM 45 O GLY A 3 -5.654 3.520 10.599 1.00 0.00 O ATOM 0 H GLY A 3 -3.059 1.604 13.283 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.416 3.395 13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.324 4.062 11.809 1.00 0.00 H new ATOM 49 N PHE A 4 -4.656 1.504 10.520 1.00 0.00 N ATOM 50 CA PHE A 4 -5.515 1.001 9.452 1.00 0.00 C ATOM 51 C PHE A 4 -6.639 0.127 10.013 1.00 0.00 C ATOM 52 O PHE A 4 -6.428 -0.662 10.933 1.00 0.00 O ATOM 53 CB PHE A 4 -4.667 0.228 8.430 1.00 0.00 C ATOM 54 CG PHE A 4 -4.945 -1.250 8.371 1.00 0.00 C ATOM 55 CD1 PHE A 4 -4.554 -2.084 9.407 1.00 0.00 C ATOM 56 CD2 PHE A 4 -5.598 -1.801 7.282 1.00 0.00 C ATOM 57 CE1 PHE A 4 -4.809 -3.440 9.356 1.00 0.00 C ATOM 58 CE2 PHE A 4 -5.857 -3.158 7.225 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.461 -3.979 8.263 1.00 0.00 C ATOM 0 H PHE A 4 -3.956 0.839 10.847 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.985 1.847 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.835 0.655 7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.613 0.376 8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.044 -1.668 10.264 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.909 -1.164 6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.499 -4.079 10.170 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.368 -3.576 6.370 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.660 -5.040 8.221 1.00 0.00 H new ATOM 69 N GLU A 5 -7.834 0.281 9.445 1.00 0.00 N ATOM 70 CA GLU A 5 -9.001 -0.484 9.875 1.00 0.00 C ATOM 71 C GLU A 5 -9.925 -0.763 8.693 1.00 0.00 C ATOM 72 O GLU A 5 -10.290 0.148 7.953 1.00 0.00 O ATOM 73 CB GLU A 5 -9.762 0.273 10.965 1.00 0.00 C ATOM 74 CG GLU A 5 -10.018 1.731 10.626 1.00 0.00 C ATOM 75 CD GLU A 5 -10.849 2.437 11.680 1.00 0.00 C ATOM 76 OE1 GLU A 5 -10.555 2.265 12.881 1.00 0.00 O ATOM 77 OE2 GLU A 5 -11.794 3.161 11.303 1.00 0.00 O ATOM 0 H GLU A 5 -8.019 0.932 8.682 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.656 -1.435 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.716 -0.223 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.197 0.219 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.064 2.247 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.528 1.793 9.665 1.00 0.00 H new ATOM 84 N PHE A 6 -10.290 -2.026 8.515 1.00 0.00 N ATOM 85 CA PHE A 6 -11.160 -2.424 7.413 1.00 0.00 C ATOM 86 C PHE A 6 -12.624 -2.479 7.837 1.00 0.00 C ATOM 87 O PHE A 6 -12.939 -2.811 8.979 1.00 0.00 O ATOM 88 CB PHE A 6 -10.731 -3.786 6.865 1.00 0.00 C ATOM 89 CG PHE A 6 -10.624 -4.850 7.920 1.00 0.00 C ATOM 90 CD1 PHE A 6 -11.724 -5.619 8.261 1.00 0.00 C ATOM 91 CD2 PHE A 6 -9.420 -5.082 8.569 1.00 0.00 C ATOM 92 CE1 PHE A 6 -11.628 -6.600 9.230 1.00 0.00 C ATOM 93 CE2 PHE A 6 -9.319 -6.061 9.539 1.00 0.00 C ATOM 94 CZ PHE A 6 -10.423 -6.820 9.870 1.00 0.00 C ATOM 0 H PHE A 6 -9.998 -2.794 9.119 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.064 -1.669 6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.447 -4.106 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.767 -3.681 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -12.668 -5.450 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.553 -4.491 8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.493 -7.194 9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.377 -6.232 10.038 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.345 -7.585 10.628 1.00 0.00 H new ATOM 104 N PHE A 7 -13.515 -2.169 6.897 1.00 0.00 N ATOM 105 CA PHE A 7 -14.950 -2.201 7.161 1.00 0.00 C ATOM 106 C PHE A 7 -15.580 -3.385 6.433 1.00 0.00 C ATOM 107 O PHE A 7 -14.924 -4.038 5.621 1.00 0.00 O ATOM 108 CB PHE A 7 -15.632 -0.891 6.740 1.00 0.00 C ATOM 109 CG PHE A 7 -14.880 -0.093 5.708 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.009 -0.384 4.359 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.057 0.956 6.087 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.328 0.353 3.409 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.375 1.700 5.140 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.510 1.396 3.800 1.00 0.00 C ATOM 0 H PHE A 7 -13.268 -1.893 5.947 1.00 0.00 H new ATOM 0 HA PHE A 7 -15.096 -2.315 8.235 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -16.623 -1.123 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -15.775 -0.271 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -15.649 -1.196 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -13.947 1.196 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.435 0.114 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.739 2.516 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 7 -12.977 1.973 3.058 1.00 0.00 H new ATOM 124 N ASP A 8 -16.836 -3.684 6.746 1.00 0.00 N ATOM 125 CA ASP A 8 -17.512 -4.821 6.131 1.00 0.00 C ATOM 126 C ASP A 8 -18.440 -4.418 4.989 1.00 0.00 C ATOM 127 O ASP A 8 -19.585 -4.025 5.210 1.00 0.00 O ATOM 128 CB ASP A 8 -18.303 -5.598 7.178 1.00 0.00 C ATOM 129 CG ASP A 8 -19.150 -4.695 8.053 1.00 0.00 C ATOM 130 OD1 ASP A 8 -18.586 -4.052 8.964 1.00 0.00 O ATOM 131 OD2 ASP A 8 -20.377 -4.631 7.829 1.00 0.00 O ATOM 0 H ASP A 8 -17.402 -3.161 7.415 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.730 -5.451 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.946 -6.323 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.613 -6.163 7.805 1.00 0.00 H new ATOM 136 N VAL A 9 -17.946 -4.568 3.767 1.00 0.00 N ATOM 137 CA VAL A 9 -18.729 -4.273 2.572 1.00 0.00 C ATOM 138 C VAL A 9 -19.133 -5.573 1.897 1.00 0.00 C ATOM 139 O VAL A 9 -18.425 -6.576 1.984 1.00 0.00 O ATOM 140 CB VAL A 9 -17.968 -3.389 1.551 1.00 0.00 C ATOM 141 CG1 VAL A 9 -18.272 -3.793 0.117 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.336 -1.943 1.714 1.00 0.00 C ATOM 0 H VAL A 9 -16.999 -4.895 3.576 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.605 -3.712 2.898 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.906 -3.534 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.719 -3.149 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -17.974 -4.830 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -19.341 -3.690 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.789 -1.344 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.407 -1.820 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.080 -1.614 2.721 1.00 0.00 H new ATOM 152 N THR A 10 -20.259 -5.547 1.207 1.00 0.00 N ATOM 153 CA THR A 10 -20.730 -6.723 0.503 1.00 0.00 C ATOM 154 C THR A 10 -20.304 -6.670 -0.963 1.00 0.00 C ATOM 155 O THR A 10 -20.887 -5.918 -1.743 1.00 0.00 O ATOM 156 CB THR A 10 -22.249 -6.819 0.603 1.00 0.00 C ATOM 157 OG1 THR A 10 -22.658 -6.925 1.955 1.00 0.00 O ATOM 158 CG2 THR A 10 -22.830 -7.998 -0.147 1.00 0.00 C ATOM 0 H THR A 10 -20.861 -4.728 1.120 1.00 0.00 H new ATOM 0 HA THR A 10 -20.288 -7.606 0.964 1.00 0.00 H new ATOM 0 HB THR A 10 -22.624 -5.902 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.635 -6.984 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 10 -23.914 -8.004 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 10 -22.577 -7.917 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 10 -22.418 -8.924 0.255 1.00 0.00 H new ATOM 166 N ALA A 11 -19.274 -7.457 -1.325 1.00 0.00 N ATOM 167 CA ALA A 11 -18.743 -7.498 -2.691 1.00 0.00 C ATOM 168 C ALA A 11 -17.343 -6.919 -2.703 1.00 0.00 C ATOM 169 O ALA A 11 -16.435 -7.474 -3.306 1.00 0.00 O ATOM 170 CB ALA A 11 -19.626 -6.740 -3.677 1.00 0.00 C ATOM 0 H ALA A 11 -18.791 -8.079 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.723 -8.540 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.191 -6.799 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.622 -7.183 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.697 -5.696 -3.373 1.00 0.00 H new ATOM 176 N ASP A 12 -17.190 -5.794 -2.025 1.00 0.00 N ATOM 177 CA ASP A 12 -15.906 -5.105 -1.930 1.00 0.00 C ATOM 178 C ASP A 12 -15.485 -4.905 -0.473 1.00 0.00 C ATOM 179 O ASP A 12 -16.261 -5.128 0.448 1.00 0.00 O ATOM 180 CB ASP A 12 -15.944 -3.746 -2.641 1.00 0.00 C ATOM 181 CG ASP A 12 -17.351 -3.272 -2.956 1.00 0.00 C ATOM 182 OD1 ASP A 12 -18.050 -3.960 -3.731 1.00 0.00 O ATOM 183 OD2 ASP A 12 -17.753 -2.214 -2.429 1.00 0.00 O ATOM 0 H ASP A 12 -17.948 -5.330 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.172 -5.741 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.449 -3.003 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.375 -3.813 -3.568 1.00 0.00 H new ATOM 188 N ALA A 13 -14.243 -4.484 -0.273 1.00 0.00 N ATOM 189 CA ALA A 13 -13.728 -4.236 1.065 1.00 0.00 C ATOM 190 C ALA A 13 -12.712 -3.097 1.058 1.00 0.00 C ATOM 191 O ALA A 13 -11.690 -3.176 0.377 1.00 0.00 O ATOM 192 CB ALA A 13 -13.108 -5.500 1.626 1.00 0.00 C ATOM 0 H ALA A 13 -13.574 -4.307 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.559 -3.938 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.725 -5.304 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.862 -6.285 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.290 -5.821 0.981 1.00 0.00 H new ATOM 198 N GLY A 14 -12.987 -2.049 1.828 1.00 0.00 N ATOM 199 CA GLY A 14 -12.076 -0.918 1.900 1.00 0.00 C ATOM 200 C GLY A 14 -11.491 -0.758 3.280 1.00 0.00 C ATOM 201 O GLY A 14 -12.166 -0.986 4.284 1.00 0.00 O ATOM 0 H GLY A 14 -13.824 -1.961 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.271 -1.053 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.605 -0.007 1.621 1.00 0.00 H new ATOM 205 N PHE A 15 -10.230 -0.368 3.334 1.00 0.00 N ATOM 206 CA PHE A 15 -9.551 -0.180 4.603 1.00 0.00 C ATOM 207 C PHE A 15 -9.307 1.295 4.850 1.00 0.00 C ATOM 208 O PHE A 15 -8.987 2.044 3.930 1.00 0.00 O ATOM 209 CB PHE A 15 -8.220 -0.933 4.639 1.00 0.00 C ATOM 210 CG PHE A 15 -8.178 -2.168 3.774 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.183 -2.070 2.390 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.132 -3.428 4.350 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.145 -3.203 1.600 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.094 -4.565 3.565 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.100 -4.452 2.189 1.00 0.00 C ATOM 0 H PHE A 15 -9.656 -0.175 2.513 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.193 -0.581 5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.425 -0.257 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.006 -1.218 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.217 -1.096 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.126 -3.522 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.150 -3.112 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.060 -5.540 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.070 -5.339 1.574 1.00 0.00 H new ATOM 225 N TRP A 16 -9.450 1.702 6.097 1.00 0.00 N ATOM 226 CA TRP A 16 -9.236 3.089 6.467 1.00 0.00 C ATOM 227 C TRP A 16 -7.996 3.214 7.334 1.00 0.00 C ATOM 228 O TRP A 16 -7.879 2.557 8.365 1.00 0.00 O ATOM 229 CB TRP A 16 -10.454 3.633 7.217 1.00 0.00 C ATOM 230 CG TRP A 16 -10.749 5.072 6.917 1.00 0.00 C ATOM 231 CD1 TRP A 16 -10.419 5.760 5.786 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.437 5.997 7.765 1.00 0.00 C ATOM 233 NE1 TRP A 16 -10.859 7.059 5.879 1.00 0.00 N ATOM 234 CE2 TRP A 16 -11.486 7.230 7.085 1.00 0.00 C ATOM 235 CE3 TRP A 16 -12.015 5.905 9.034 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -12.091 8.359 7.632 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -12.616 7.027 9.576 1.00 0.00 C ATOM 238 CH2 TRP A 16 -12.649 8.239 8.875 1.00 0.00 C ATOM 0 H TRP A 16 -9.713 1.092 6.871 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.093 3.673 5.558 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.326 3.031 6.962 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.291 3.520 8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.890 5.345 4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.738 7.778 5.166 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -11.993 4.975 9.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.119 9.295 7.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -13.067 6.967 10.556 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -13.125 9.097 9.326 1.00 0.00 H new ATOM 249 N ALA A 17 -7.078 4.066 6.911 1.00 0.00 N ATOM 250 CA ALA A 17 -5.845 4.287 7.646 1.00 0.00 C ATOM 251 C ALA A 17 -5.677 5.742 7.959 1.00 0.00 C ATOM 252 O ALA A 17 -6.346 6.593 7.382 1.00 0.00 O ATOM 253 CB ALA A 17 -4.651 3.753 6.872 1.00 0.00 C ATOM 0 H ALA A 17 -7.164 4.618 6.058 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.902 3.741 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.739 3.930 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.774 2.683 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.583 4.263 5.911 1.00 0.00 H new ATOM 259 N TYR A 18 -4.806 6.021 8.906 1.00 0.00 N ATOM 260 CA TYR A 18 -4.586 7.384 9.323 1.00 0.00 C ATOM 261 C TYR A 18 -3.177 7.866 9.009 1.00 0.00 C ATOM 262 O TYR A 18 -2.258 7.075 8.802 1.00 0.00 O ATOM 263 CB TYR A 18 -4.878 7.546 10.807 1.00 0.00 C ATOM 264 CG TYR A 18 -5.778 6.489 11.401 1.00 0.00 C ATOM 265 CD1 TYR A 18 -6.931 6.081 10.747 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.479 5.915 12.627 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.762 5.125 11.297 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.301 4.957 13.184 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.442 4.565 12.517 1.00 0.00 C ATOM 270 OH TYR A 18 -8.267 3.613 13.070 1.00 0.00 O ATOM 0 H TYR A 18 -4.244 5.326 9.397 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.277 8.004 8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.933 7.544 11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.335 8.522 10.967 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.183 6.518 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.588 6.223 13.155 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.657 4.818 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.052 4.516 14.138 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.898 3.320 13.929 1.00 0.00 H new ATOM 280 N GLY A 19 -3.037 9.183 8.968 1.00 0.00 N ATOM 281 CA GLY A 19 -1.769 9.807 8.671 1.00 0.00 C ATOM 282 C GLY A 19 -1.131 10.440 9.861 1.00 0.00 C ATOM 283 O GLY A 19 -1.308 10.017 11.004 1.00 0.00 O ATOM 0 H GLY A 19 -3.798 9.840 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.092 9.059 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.916 10.564 7.900 1.00 0.00 H new ATOM 287 N HIS A 20 -0.360 11.451 9.557 1.00 0.00 N ATOM 288 CA HIS A 20 0.379 12.194 10.532 1.00 0.00 C ATOM 289 C HIS A 20 1.198 13.279 9.845 1.00 0.00 C ATOM 290 O HIS A 20 1.532 14.300 10.448 1.00 0.00 O ATOM 291 CB HIS A 20 1.262 11.216 11.286 1.00 0.00 C ATOM 292 CG HIS A 20 2.730 11.529 11.268 1.00 0.00 C ATOM 293 ND1 HIS A 20 3.656 10.708 10.661 1.00 0.00 N ATOM 294 CD2 HIS A 20 3.427 12.580 11.759 1.00 0.00 C ATOM 295 CE1 HIS A 20 4.856 11.236 10.773 1.00 0.00 C ATOM 296 NE2 HIS A 20 4.748 12.374 11.436 1.00 0.00 N ATOM 0 H HIS A 20 -0.229 11.785 8.602 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.288 12.693 11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.929 11.177 12.323 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.115 10.221 10.866 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.022 13.421 12.302 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.772 10.812 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.520 12.999 11.670 1.00 0.00 H new ATOM 305 N ASP A 21 1.511 13.050 8.573 1.00 0.00 N ATOM 306 CA ASP A 21 2.288 14.015 7.801 1.00 0.00 C ATOM 307 C ASP A 21 2.216 13.722 6.308 1.00 0.00 C ATOM 308 O ASP A 21 3.154 14.012 5.565 1.00 0.00 O ATOM 309 CB ASP A 21 3.743 14.003 8.261 1.00 0.00 C ATOM 310 CG ASP A 21 4.055 15.127 9.231 1.00 0.00 C ATOM 311 OD1 ASP A 21 4.162 16.287 8.780 1.00 0.00 O ATOM 312 OD2 ASP A 21 4.193 14.847 10.440 1.00 0.00 O ATOM 0 H ASP A 21 1.241 12.212 8.058 1.00 0.00 H new ATOM 0 HA ASP A 21 1.859 15.002 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.963 13.047 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.396 14.085 7.392 1.00 0.00 H new ATOM 317 N LEU A 22 1.103 13.136 5.879 1.00 0.00 N ATOM 318 CA LEU A 22 0.899 12.786 4.474 1.00 0.00 C ATOM 319 C LEU A 22 1.618 11.489 4.147 1.00 0.00 C ATOM 320 O LEU A 22 1.022 10.552 3.621 1.00 0.00 O ATOM 321 CB LEU A 22 1.373 13.907 3.543 1.00 0.00 C ATOM 322 CG LEU A 22 0.962 15.318 3.969 1.00 0.00 C ATOM 323 CD1 LEU A 22 2.032 16.327 3.580 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.375 15.691 3.350 1.00 0.00 C ATOM 0 H LEU A 22 0.322 12.891 6.488 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.171 12.651 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.460 13.867 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.983 13.718 2.543 1.00 0.00 H new ATOM 0 HG LEU A 22 0.856 15.334 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.722 17.325 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.971 16.069 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.171 16.311 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.653 16.697 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.295 15.658 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.138 14.985 3.679 1.00 0.00 H new ATOM 336 N GLU A 23 2.898 11.423 4.484 1.00 0.00 N ATOM 337 CA GLU A 23 3.663 10.215 4.241 1.00 0.00 C ATOM 338 C GLU A 23 3.130 9.099 5.135 1.00 0.00 C ATOM 339 O GLU A 23 3.144 7.931 4.763 1.00 0.00 O ATOM 340 CB GLU A 23 5.164 10.443 4.493 1.00 0.00 C ATOM 341 CG GLU A 23 5.626 11.873 4.259 1.00 0.00 C ATOM 342 CD GLU A 23 5.899 12.619 5.552 1.00 0.00 C ATOM 343 OE1 GLU A 23 5.389 12.183 6.606 1.00 0.00 O ATOM 344 OE2 GLU A 23 6.620 13.637 5.510 1.00 0.00 O ATOM 0 H GLU A 23 3.421 12.182 4.921 1.00 0.00 H new ATOM 0 HA GLU A 23 3.551 9.930 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.395 10.162 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.735 9.778 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.531 11.863 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.866 12.408 3.689 1.00 0.00 H new ATOM 351 N GLU A 24 2.644 9.468 6.316 1.00 0.00 N ATOM 352 CA GLU A 24 2.104 8.484 7.244 1.00 0.00 C ATOM 353 C GLU A 24 0.903 7.744 6.653 1.00 0.00 C ATOM 354 O GLU A 24 0.779 6.529 6.808 1.00 0.00 O ATOM 355 CB GLU A 24 1.706 9.133 8.566 1.00 0.00 C ATOM 356 CG GLU A 24 1.765 8.159 9.737 1.00 0.00 C ATOM 357 CD GLU A 24 0.450 7.442 9.971 1.00 0.00 C ATOM 358 OE1 GLU A 24 0.129 6.522 9.191 1.00 0.00 O ATOM 359 OE2 GLU A 24 -0.256 7.798 10.937 1.00 0.00 O ATOM 0 H GLU A 24 2.613 10.431 6.650 1.00 0.00 H new ATOM 0 HA GLU A 24 2.897 7.759 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.367 9.977 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.695 9.533 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.547 7.423 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.044 8.701 10.641 1.00 0.00 H new ATOM 366 N VAL A 25 0.012 8.479 5.988 1.00 0.00 N ATOM 367 CA VAL A 25 -1.187 7.869 5.397 1.00 0.00 C ATOM 368 C VAL A 25 -0.859 7.056 4.145 1.00 0.00 C ATOM 369 O VAL A 25 -1.344 5.936 3.982 1.00 0.00 O ATOM 370 CB VAL A 25 -2.285 8.908 5.038 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.427 8.850 6.039 1.00 0.00 C ATOM 372 CG2 VAL A 25 -1.727 10.322 4.953 1.00 0.00 C ATOM 0 H VAL A 25 0.092 9.486 5.844 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.575 7.208 6.173 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.666 8.645 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.185 9.585 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.869 7.854 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.048 9.069 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.529 11.015 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.296 10.601 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.956 10.363 4.184 1.00 0.00 H new ATOM 382 N PHE A 26 -0.058 7.629 3.254 1.00 0.00 N ATOM 383 CA PHE A 26 0.303 6.960 2.006 1.00 0.00 C ATOM 384 C PHE A 26 0.854 5.554 2.246 1.00 0.00 C ATOM 385 O PHE A 26 0.352 4.583 1.680 1.00 0.00 O ATOM 386 CB PHE A 26 1.320 7.802 1.236 1.00 0.00 C ATOM 387 CG PHE A 26 0.730 9.063 0.676 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.407 9.016 -0.115 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.301 10.293 0.948 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.961 10.172 -0.626 1.00 0.00 C ATOM 391 CE2 PHE A 26 0.752 11.455 0.440 1.00 0.00 C ATOM 392 CZ PHE A 26 -0.381 11.395 -0.347 1.00 0.00 C ATOM 0 H PHE A 26 0.354 8.555 3.371 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.606 6.856 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.148 8.057 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.734 7.208 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.865 8.063 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.186 10.346 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.846 10.121 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.209 12.409 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.813 12.302 -0.744 1.00 0.00 H new ATOM 402 N GLU A 27 1.879 5.445 3.081 1.00 0.00 N ATOM 403 CA GLU A 27 2.478 4.148 3.380 1.00 0.00 C ATOM 404 C GLU A 27 1.473 3.237 4.074 1.00 0.00 C ATOM 405 O GLU A 27 1.488 2.020 3.887 1.00 0.00 O ATOM 406 CB GLU A 27 3.719 4.321 4.250 1.00 0.00 C ATOM 407 CG GLU A 27 5.013 3.967 3.532 1.00 0.00 C ATOM 408 CD GLU A 27 4.992 2.570 2.940 1.00 0.00 C ATOM 409 OE1 GLU A 27 3.969 1.871 3.097 1.00 0.00 O ATOM 410 OE2 GLU A 27 6.002 2.175 2.318 1.00 0.00 O ATOM 0 H GLU A 27 2.312 6.233 3.562 1.00 0.00 H new ATOM 0 HA GLU A 27 2.772 3.684 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.773 5.354 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.622 3.696 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.192 4.691 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.845 4.048 4.231 1.00 0.00 H new ATOM 417 N ASN A 28 0.597 3.834 4.873 1.00 0.00 N ATOM 418 CA ASN A 28 -0.418 3.078 5.592 1.00 0.00 C ATOM 419 C ASN A 28 -1.370 2.392 4.618 1.00 0.00 C ATOM 420 O ASN A 28 -1.871 1.300 4.888 1.00 0.00 O ATOM 421 CB ASN A 28 -1.200 3.998 6.532 1.00 0.00 C ATOM 422 CG ASN A 28 -0.721 3.902 7.966 1.00 0.00 C ATOM 423 OD1 ASN A 28 0.318 3.304 8.247 1.00 0.00 O ATOM 424 ND2 ASN A 28 -1.478 4.492 8.884 1.00 0.00 N ATOM 0 H ASN A 28 0.570 4.840 5.039 1.00 0.00 H new ATOM 0 HA ASN A 28 0.082 2.312 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.106 5.028 6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.259 3.743 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.206 4.460 9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.331 4.977 8.606 1.00 0.00 H new ATOM 431 N ALA A 29 -1.613 3.039 3.482 1.00 0.00 N ATOM 432 CA ALA A 29 -2.502 2.489 2.464 1.00 0.00 C ATOM 433 C ALA A 29 -1.998 1.134 1.981 1.00 0.00 C ATOM 434 O ALA A 29 -2.786 0.237 1.683 1.00 0.00 O ATOM 435 CB ALA A 29 -2.633 3.457 1.298 1.00 0.00 C ATOM 0 H ALA A 29 -1.207 3.944 3.243 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.487 2.346 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.299 3.033 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.042 4.402 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.651 3.630 0.857 1.00 0.00 H new ATOM 441 N ALA A 30 -0.678 0.991 1.911 1.00 0.00 N ATOM 442 CA ALA A 30 -0.069 -0.256 1.472 1.00 0.00 C ATOM 443 C ALA A 30 -0.353 -1.378 2.464 1.00 0.00 C ATOM 444 O ALA A 30 -0.625 -2.512 2.073 1.00 0.00 O ATOM 445 CB ALA A 30 1.431 -0.076 1.289 1.00 0.00 C ATOM 0 H ALA A 30 -0.011 1.724 2.153 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.508 -0.531 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.873 -1.017 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.616 0.693 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.880 0.225 2.236 1.00 0.00 H new ATOM 451 N LEU A 31 -0.292 -1.049 3.751 1.00 0.00 N ATOM 452 CA LEU A 31 -0.546 -2.027 4.804 1.00 0.00 C ATOM 453 C LEU A 31 -1.913 -2.682 4.623 1.00 0.00 C ATOM 454 O LEU A 31 -2.090 -3.863 4.921 1.00 0.00 O ATOM 455 CB LEU A 31 -0.462 -1.362 6.180 1.00 0.00 C ATOM 456 CG LEU A 31 0.265 -2.179 7.250 1.00 0.00 C ATOM 457 CD1 LEU A 31 -0.425 -3.518 7.461 1.00 0.00 C ATOM 458 CD2 LEU A 31 1.723 -2.384 6.865 1.00 0.00 C ATOM 0 H LEU A 31 -0.069 -0.113 4.090 1.00 0.00 H new ATOM 0 HA LEU A 31 0.218 -2.801 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.042 -0.402 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.474 -1.154 6.528 1.00 0.00 H new ATOM 0 HG LEU A 31 0.231 -1.625 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.106 -4.085 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.453 -3.351 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.424 -4.079 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.225 -2.967 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.777 -2.917 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.213 -1.415 6.766 1.00 0.00 H new ATOM 470 N ALA A 32 -2.875 -1.909 4.127 1.00 0.00 N ATOM 471 CA ALA A 32 -4.222 -2.418 3.904 1.00 0.00 C ATOM 472 C ALA A 32 -4.204 -3.594 2.934 1.00 0.00 C ATOM 473 O ALA A 32 -4.766 -4.653 3.214 1.00 0.00 O ATOM 474 CB ALA A 32 -5.127 -1.310 3.382 1.00 0.00 C ATOM 0 H ALA A 32 -2.746 -0.930 3.873 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.617 -2.770 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.130 -1.705 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.169 -0.501 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.731 -0.930 2.441 1.00 0.00 H new ATOM 480 N MET A 33 -3.546 -3.404 1.795 1.00 0.00 N ATOM 481 CA MET A 33 -3.445 -4.451 0.785 1.00 0.00 C ATOM 482 C MET A 33 -2.509 -5.561 1.253 1.00 0.00 C ATOM 483 O MET A 33 -2.681 -6.726 0.893 1.00 0.00 O ATOM 484 CB MET A 33 -2.945 -3.868 -0.537 1.00 0.00 C ATOM 485 CG MET A 33 -2.844 -4.893 -1.655 1.00 0.00 C ATOM 486 SD MET A 33 -4.398 -5.107 -2.544 1.00 0.00 S ATOM 487 CE MET A 33 -3.976 -6.454 -3.646 1.00 0.00 C ATOM 0 H MET A 33 -3.074 -2.534 1.548 1.00 0.00 H new ATOM 0 HA MET A 33 -4.438 -4.874 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.616 -3.068 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.965 -3.418 -0.378 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.068 -4.585 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.534 -5.851 -1.237 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.735 -6.540 -4.423 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.007 -6.258 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.929 -7.385 -3.081 1.00 0.00 H new ATOM 497 N PHE A 34 -1.518 -5.191 2.059 1.00 0.00 N ATOM 498 CA PHE A 34 -0.554 -6.153 2.578 1.00 0.00 C ATOM 499 C PHE A 34 -1.235 -7.172 3.486 1.00 0.00 C ATOM 500 O PHE A 34 -1.089 -8.379 3.300 1.00 0.00 O ATOM 501 CB PHE A 34 0.556 -5.428 3.344 1.00 0.00 C ATOM 502 CG PHE A 34 1.818 -5.255 2.549 1.00 0.00 C ATOM 503 CD1 PHE A 34 2.669 -6.328 2.337 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.152 -4.022 2.013 1.00 0.00 C ATOM 505 CE1 PHE A 34 3.831 -6.172 1.605 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.312 -3.861 1.280 1.00 0.00 C ATOM 507 CZ PHE A 34 4.153 -4.938 1.076 1.00 0.00 C ATOM 0 H PHE A 34 -1.362 -4.231 2.366 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.116 -6.685 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.193 -4.448 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.782 -5.985 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.422 -7.296 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.498 -3.177 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.487 -7.015 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.561 -2.895 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.061 -4.815 0.504 1.00 0.00 H new ATOM 517 N GLU A 35 -1.985 -6.676 4.467 1.00 0.00 N ATOM 518 CA GLU A 35 -2.693 -7.544 5.402 1.00 0.00 C ATOM 519 C GLU A 35 -3.563 -8.551 4.655 1.00 0.00 C ATOM 520 O GLU A 35 -3.782 -9.668 5.123 1.00 0.00 O ATOM 521 CB GLU A 35 -3.555 -6.712 6.354 1.00 0.00 C ATOM 522 CG GLU A 35 -2.747 -5.937 7.382 1.00 0.00 C ATOM 523 CD GLU A 35 -2.901 -6.493 8.785 1.00 0.00 C ATOM 524 OE1 GLU A 35 -4.046 -6.799 9.180 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.877 -6.622 9.487 1.00 0.00 O ATOM 0 H GLU A 35 -2.118 -5.679 4.634 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.951 -8.092 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.154 -6.012 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.251 -7.372 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.694 -5.957 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.060 -4.893 7.373 1.00 0.00 H new ATOM 532 N VAL A 36 -4.053 -8.145 3.489 1.00 0.00 N ATOM 533 CA VAL A 36 -4.896 -9.007 2.669 1.00 0.00 C ATOM 534 C VAL A 36 -4.051 -9.977 1.852 1.00 0.00 C ATOM 535 O VAL A 36 -4.444 -11.121 1.625 1.00 0.00 O ATOM 536 CB VAL A 36 -5.775 -8.183 1.711 1.00 0.00 C ATOM 537 CG1 VAL A 36 -6.796 -9.075 1.021 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.462 -7.045 2.454 1.00 0.00 C ATOM 0 H VAL A 36 -3.880 -7.222 3.090 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.537 -9.567 3.350 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.133 -7.747 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.408 -8.474 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.279 -9.846 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.434 -9.544 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.078 -6.476 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.091 -7.454 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.709 -6.390 2.892 1.00 0.00 H new ATOM 548 N MET A 37 -2.888 -9.509 1.409 1.00 0.00 N ATOM 549 CA MET A 37 -1.982 -10.331 0.613 1.00 0.00 C ATOM 550 C MET A 37 -1.656 -11.637 1.332 1.00 0.00 C ATOM 551 O MET A 37 -1.508 -12.684 0.703 1.00 0.00 O ATOM 552 CB MET A 37 -0.694 -9.560 0.313 1.00 0.00 C ATOM 553 CG MET A 37 -0.391 -9.439 -1.171 1.00 0.00 C ATOM 554 SD MET A 37 1.372 -9.569 -1.533 1.00 0.00 S ATOM 555 CE MET A 37 1.334 -10.498 -3.064 1.00 0.00 C ATOM 0 H MET A 37 -2.550 -8.563 1.588 1.00 0.00 H new ATOM 0 HA MET A 37 -2.479 -10.573 -0.326 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.770 -8.561 0.743 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.141 -10.057 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.928 -10.218 -1.712 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.764 -8.482 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.329 -10.508 -3.508 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.017 -11.521 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.633 -10.031 -3.756 1.00 0.00 H new ATOM 565 N THR A 38 -1.549 -11.567 2.656 1.00 0.00 N ATOM 566 CA THR A 38 -1.244 -12.746 3.464 1.00 0.00 C ATOM 567 C THR A 38 -1.098 -12.374 4.942 1.00 0.00 C ATOM 568 O THR A 38 -2.072 -12.407 5.694 1.00 0.00 O ATOM 569 CB THR A 38 0.026 -13.442 2.950 1.00 0.00 C ATOM 570 OG1 THR A 38 0.674 -14.147 3.994 1.00 0.00 O ATOM 571 CG2 THR A 38 1.038 -12.490 2.345 1.00 0.00 C ATOM 0 H THR A 38 -1.669 -10.708 3.192 1.00 0.00 H new ATOM 0 HA THR A 38 -2.077 -13.443 3.373 1.00 0.00 H new ATOM 0 HB THR A 38 -0.321 -14.119 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.581 -13.794 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.908 -13.052 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.588 -11.970 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.347 -11.763 3.096 1.00 0.00 H new ATOM 579 N ASP A 39 0.119 -12.022 5.358 1.00 0.00 N ATOM 580 CA ASP A 39 0.376 -11.650 6.747 1.00 0.00 C ATOM 581 C ASP A 39 1.865 -11.403 6.978 1.00 0.00 C ATOM 582 O ASP A 39 2.662 -12.339 6.995 1.00 0.00 O ATOM 583 CB ASP A 39 -0.124 -12.745 7.695 1.00 0.00 C ATOM 584 CG ASP A 39 -1.375 -12.332 8.445 1.00 0.00 C ATOM 585 OD1 ASP A 39 -1.267 -11.494 9.365 1.00 0.00 O ATOM 586 OD2 ASP A 39 -2.464 -12.848 8.113 1.00 0.00 O ATOM 0 H ASP A 39 0.940 -11.987 4.753 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.165 -10.727 6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.328 -13.651 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.661 -12.989 8.410 1.00 0.00 H new ATOM 591 N THR A 40 2.232 -10.138 7.152 1.00 0.00 N ATOM 592 CA THR A 40 3.627 -9.767 7.384 1.00 0.00 C ATOM 593 C THR A 40 4.086 -10.176 8.784 1.00 0.00 C ATOM 594 O THR A 40 5.283 -10.301 9.038 1.00 0.00 O ATOM 595 CB THR A 40 3.822 -8.259 7.189 1.00 0.00 C ATOM 596 OG1 THR A 40 3.469 -7.549 8.364 1.00 0.00 O ATOM 597 CG2 THR A 40 3.006 -7.692 6.047 1.00 0.00 C ATOM 0 H THR A 40 1.584 -9.350 7.137 1.00 0.00 H new ATOM 0 HA THR A 40 4.236 -10.302 6.656 1.00 0.00 H new ATOM 0 HB THR A 40 4.879 -8.134 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.281 -7.233 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.191 -6.621 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.292 -8.183 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.946 -7.864 6.237 1.00 0.00 H new ATOM 605 N SER A 41 3.130 -10.367 9.692 1.00 0.00 N ATOM 606 CA SER A 41 3.435 -10.745 11.073 1.00 0.00 C ATOM 607 C SER A 41 4.083 -12.129 11.161 1.00 0.00 C ATOM 608 O SER A 41 3.528 -13.048 11.764 1.00 0.00 O ATOM 609 CB SER A 41 2.161 -10.716 11.918 1.00 0.00 C ATOM 610 OG SER A 41 1.083 -11.336 11.237 1.00 0.00 O ATOM 0 H SER A 41 2.134 -10.266 9.496 1.00 0.00 H new ATOM 0 HA SER A 41 4.151 -10.019 11.459 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.338 -11.225 12.866 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.901 -9.684 12.154 1.00 0.00 H new ATOM 0 HG SER A 41 0.281 -11.306 11.799 1.00 0.00 H new ATOM 616 N LEU A 42 5.266 -12.265 10.572 1.00 0.00 N ATOM 617 CA LEU A 42 6.006 -13.527 10.593 1.00 0.00 C ATOM 618 C LEU A 42 7.312 -13.427 9.798 1.00 0.00 C ATOM 619 O LEU A 42 8.206 -14.258 9.957 1.00 0.00 O ATOM 620 CB LEU A 42 5.150 -14.694 10.070 1.00 0.00 C ATOM 621 CG LEU A 42 4.314 -14.434 8.806 1.00 0.00 C ATOM 622 CD1 LEU A 42 2.927 -13.938 9.173 1.00 0.00 C ATOM 623 CD2 LEU A 42 5.009 -13.453 7.873 1.00 0.00 C ATOM 0 H LEU A 42 5.738 -11.513 10.070 1.00 0.00 H new ATOM 0 HA LEU A 42 6.256 -13.729 11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.812 -15.537 9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.473 -15.001 10.867 1.00 0.00 H new ATOM 0 HG LEU A 42 4.212 -15.380 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.352 -13.760 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.422 -14.688 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.010 -13.009 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.391 -13.291 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.160 -12.505 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.974 -13.859 7.571 1.00 0.00 H new ATOM 635 N VAL A 43 7.419 -12.407 8.947 1.00 0.00 N ATOM 636 CA VAL A 43 8.613 -12.197 8.138 1.00 0.00 C ATOM 637 C VAL A 43 9.370 -10.961 8.621 1.00 0.00 C ATOM 638 O VAL A 43 8.771 -9.918 8.881 1.00 0.00 O ATOM 639 CB VAL A 43 8.247 -12.030 6.647 1.00 0.00 C ATOM 640 CG1 VAL A 43 9.439 -11.540 5.835 1.00 0.00 C ATOM 641 CG2 VAL A 43 7.701 -13.327 6.076 1.00 0.00 C ATOM 0 H VAL A 43 6.687 -11.711 8.802 1.00 0.00 H new ATOM 0 HA VAL A 43 9.250 -13.075 8.245 1.00 0.00 H new ATOM 0 HB VAL A 43 7.466 -11.272 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.148 -11.433 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.770 -10.576 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.253 -12.261 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.450 -13.185 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.454 -14.110 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.806 -13.619 6.626 1.00 0.00 H new ATOM 651 N GLU A 44 10.687 -11.087 8.746 1.00 0.00 N ATOM 652 CA GLU A 44 11.518 -9.983 9.209 1.00 0.00 C ATOM 653 C GLU A 44 11.836 -9.011 8.075 1.00 0.00 C ATOM 654 O GLU A 44 11.190 -7.971 7.934 1.00 0.00 O ATOM 655 CB GLU A 44 12.815 -10.517 9.818 1.00 0.00 C ATOM 656 CG GLU A 44 12.620 -11.202 11.161 1.00 0.00 C ATOM 657 CD GLU A 44 13.172 -12.614 11.185 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.382 -12.782 10.924 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.395 -13.550 11.465 1.00 0.00 O ATOM 0 H GLU A 44 11.201 -11.942 8.533 1.00 0.00 H new ATOM 0 HA GLU A 44 10.958 -9.441 9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.270 -11.222 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.517 -9.692 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.107 -10.613 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.557 -11.228 11.400 1.00 0.00 H new ATOM 666 N ALA A 45 12.840 -9.352 7.274 1.00 0.00 N ATOM 667 CA ALA A 45 13.261 -8.512 6.155 1.00 0.00 C ATOM 668 C ALA A 45 14.496 -9.097 5.478 1.00 0.00 C ATOM 669 O ALA A 45 15.602 -9.021 6.013 1.00 0.00 O ATOM 670 CB ALA A 45 13.542 -7.093 6.630 1.00 0.00 C ATOM 0 H ALA A 45 13.381 -10.210 7.379 1.00 0.00 H new ATOM 0 HA ALA A 45 12.450 -8.482 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.854 -6.481 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.638 -6.671 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.335 -7.110 7.378 1.00 0.00 H new ATOM 676 N ALA A 46 14.300 -9.693 4.307 1.00 0.00 N ATOM 677 CA ALA A 46 15.397 -10.303 3.570 1.00 0.00 C ATOM 678 C ALA A 46 15.828 -9.452 2.381 1.00 0.00 C ATOM 679 O ALA A 46 16.999 -9.449 2.002 1.00 0.00 O ATOM 680 CB ALA A 46 14.999 -11.694 3.101 1.00 0.00 C ATOM 0 H ALA A 46 13.391 -9.766 3.849 1.00 0.00 H new ATOM 0 HA ALA A 46 16.249 -10.376 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.826 -12.143 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.759 -12.314 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.127 -11.623 2.451 1.00 0.00 H new ATOM 686 N GLU A 47 14.878 -8.745 1.785 1.00 0.00 N ATOM 687 CA GLU A 47 15.166 -7.907 0.627 1.00 0.00 C ATOM 688 C GLU A 47 14.494 -6.559 0.750 1.00 0.00 C ATOM 689 O GLU A 47 13.452 -6.448 1.374 1.00 0.00 O ATOM 690 CB GLU A 47 14.667 -8.579 -0.640 1.00 0.00 C ATOM 691 CG GLU A 47 14.999 -10.057 -0.716 1.00 0.00 C ATOM 692 CD GLU A 47 16.373 -10.321 -1.301 1.00 0.00 C ATOM 693 OE1 GLU A 47 16.547 -10.120 -2.522 1.00 0.00 O ATOM 694 OE2 GLU A 47 17.274 -10.728 -0.538 1.00 0.00 O ATOM 0 H GLU A 47 13.902 -8.734 2.083 1.00 0.00 H new ATOM 0 HA GLU A 47 16.246 -7.768 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.586 -8.454 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.099 -8.073 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.946 -10.489 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.248 -10.563 -1.322 1.00 0.00 H new ATOM 701 N GLU A 48 15.083 -5.541 0.131 1.00 0.00 N ATOM 702 CA GLU A 48 14.509 -4.203 0.170 1.00 0.00 C ATOM 703 C GLU A 48 14.466 -3.580 -1.222 1.00 0.00 C ATOM 704 O GLU A 48 15.385 -3.755 -2.022 1.00 0.00 O ATOM 705 CB GLU A 48 15.305 -3.304 1.118 1.00 0.00 C ATOM 706 CG GLU A 48 14.625 -1.978 1.412 1.00 0.00 C ATOM 707 CD GLU A 48 15.589 -0.931 1.934 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.143 -1.130 3.036 1.00 0.00 O ATOM 709 OE2 GLU A 48 15.790 0.090 1.242 1.00 0.00 O ATOM 0 H GLU A 48 15.951 -5.617 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 48 13.487 -4.292 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.469 -3.834 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.286 -3.111 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.150 -1.608 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.833 -2.135 2.144 1.00 0.00 H new ATOM 716 N ARG A 49 13.393 -2.847 -1.499 1.00 0.00 N ATOM 717 CA ARG A 49 13.223 -2.188 -2.790 1.00 0.00 C ATOM 718 C ARG A 49 12.645 -0.788 -2.609 1.00 0.00 C ATOM 719 O ARG A 49 11.997 -0.499 -1.603 1.00 0.00 O ATOM 720 CB ARG A 49 12.311 -3.017 -3.695 1.00 0.00 C ATOM 721 CG ARG A 49 12.979 -4.260 -4.260 1.00 0.00 C ATOM 722 CD ARG A 49 14.024 -3.906 -5.306 1.00 0.00 C ATOM 723 NE ARG A 49 15.307 -3.556 -4.701 1.00 0.00 N ATOM 724 CZ ARG A 49 16.253 -2.852 -5.320 1.00 0.00 C ATOM 725 NH1 ARG A 49 16.067 -2.427 -6.564 1.00 0.00 N ATOM 726 NH2 ARG A 49 17.389 -2.575 -4.694 1.00 0.00 N ATOM 0 H ARG A 49 12.625 -2.694 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 49 14.203 -2.101 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.427 -3.315 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.967 -2.393 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.448 -4.821 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.225 -4.910 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.160 -4.750 -5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.667 -3.070 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 49 15.489 -3.870 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.196 -2.639 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.795 -1.888 -7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.538 -2.901 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.114 -2.036 -5.168 1.00 0.00 H new ATOM 740 N ARG A 50 12.886 0.079 -3.588 1.00 0.00 N ATOM 741 CA ARG A 50 12.390 1.449 -3.533 1.00 0.00 C ATOM 742 C ARG A 50 11.356 1.704 -4.625 1.00 0.00 C ATOM 743 O ARG A 50 11.476 1.202 -5.743 1.00 0.00 O ATOM 744 CB ARG A 50 13.552 2.438 -3.670 1.00 0.00 C ATOM 745 CG ARG A 50 13.776 3.285 -2.428 1.00 0.00 C ATOM 746 CD ARG A 50 14.138 4.718 -2.788 1.00 0.00 C ATOM 747 NE ARG A 50 14.871 5.384 -1.714 1.00 0.00 N ATOM 748 CZ ARG A 50 15.313 6.637 -1.783 1.00 0.00 C ATOM 749 NH1 ARG A 50 15.096 7.366 -2.871 1.00 0.00 N ATOM 750 NH2 ARG A 50 15.972 7.165 -0.760 1.00 0.00 N ATOM 0 H ARG A 50 13.421 -0.143 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 50 11.908 1.594 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.465 1.885 -3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.362 3.095 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.875 3.279 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.573 2.847 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.742 4.722 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.229 5.277 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 50 15.055 4.857 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.588 6.966 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.437 8.326 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.140 6.610 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.311 8.126 -0.813 1.00 0.00 H new ATOM 764 N VAL A 51 10.340 2.492 -4.290 1.00 0.00 N ATOM 765 CA VAL A 51 9.279 2.827 -5.232 1.00 0.00 C ATOM 766 C VAL A 51 9.089 4.338 -5.313 1.00 0.00 C ATOM 767 O VAL A 51 9.239 5.044 -4.317 1.00 0.00 O ATOM 768 CB VAL A 51 7.941 2.173 -4.833 1.00 0.00 C ATOM 769 CG1 VAL A 51 6.938 2.269 -5.972 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.152 0.723 -4.421 1.00 0.00 C ATOM 0 H VAL A 51 10.229 2.913 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 51 9.582 2.442 -6.206 1.00 0.00 H new ATOM 0 HB VAL A 51 7.538 2.714 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.000 1.802 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.761 3.317 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.333 1.757 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.195 0.281 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.581 0.167 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.831 0.682 -3.570 1.00 0.00 H new ATOM 780 N GLU A 52 8.753 4.827 -6.501 1.00 0.00 N ATOM 781 CA GLU A 52 8.539 6.252 -6.710 1.00 0.00 C ATOM 782 C GLU A 52 7.171 6.489 -7.329 1.00 0.00 C ATOM 783 O GLU A 52 6.695 5.683 -8.130 1.00 0.00 O ATOM 784 CB GLU A 52 9.641 6.838 -7.594 1.00 0.00 C ATOM 785 CG GLU A 52 9.414 8.294 -7.971 1.00 0.00 C ATOM 786 CD GLU A 52 10.684 9.120 -7.895 1.00 0.00 C ATOM 787 OE1 GLU A 52 11.622 8.841 -8.672 1.00 0.00 O ATOM 788 OE2 GLU A 52 10.741 10.045 -7.058 1.00 0.00 O ATOM 0 H GLU A 52 8.623 4.255 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 52 8.576 6.756 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.595 6.751 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.718 6.244 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.011 8.345 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.664 8.725 -7.307 1.00 0.00 H new ATOM 795 N ILE A 53 6.534 7.583 -6.945 1.00 0.00 N ATOM 796 CA ILE A 53 5.212 7.899 -7.455 1.00 0.00 C ATOM 797 C ILE A 53 5.070 9.379 -7.778 1.00 0.00 C ATOM 798 O ILE A 53 5.722 10.223 -7.168 1.00 0.00 O ATOM 799 CB ILE A 53 4.111 7.498 -6.452 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.668 6.591 -5.349 1.00 0.00 C ATOM 801 CG2 ILE A 53 2.987 6.802 -7.185 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.633 6.172 -4.329 1.00 0.00 C ATOM 0 H ILE A 53 6.910 8.264 -6.285 1.00 0.00 H new ATOM 0 HA ILE A 53 5.092 7.323 -8.373 1.00 0.00 H new ATOM 0 HB ILE A 53 3.730 8.402 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.097 5.699 -5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.479 7.110 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.210 6.519 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.568 7.476 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.372 5.909 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.099 5.532 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.220 7.057 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.833 5.624 -4.827 1.00 0.00 H new ATOM 814 N THR A 54 4.201 9.686 -8.737 1.00 0.00 N ATOM 815 CA THR A 54 3.959 11.067 -9.133 1.00 0.00 C ATOM 816 C THR A 54 2.486 11.426 -8.964 1.00 0.00 C ATOM 817 O THR A 54 1.619 10.881 -9.646 1.00 0.00 O ATOM 818 CB THR A 54 4.389 11.289 -10.584 1.00 0.00 C ATOM 819 OG1 THR A 54 5.672 10.735 -10.817 1.00 0.00 O ATOM 820 CG2 THR A 54 4.441 12.749 -10.977 1.00 0.00 C ATOM 0 H THR A 54 3.654 8.997 -9.253 1.00 0.00 H new ATOM 0 HA THR A 54 4.551 11.715 -8.487 1.00 0.00 H new ATOM 0 HB THR A 54 3.629 10.794 -11.189 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.929 10.886 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.753 12.835 -12.018 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.453 13.194 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.155 13.272 -10.340 1.00 0.00 H new ATOM 828 N SER A 55 2.216 12.352 -8.052 1.00 0.00 N ATOM 829 CA SER A 55 0.855 12.802 -7.785 1.00 0.00 C ATOM 830 C SER A 55 0.726 14.297 -8.035 1.00 0.00 C ATOM 831 O SER A 55 1.726 15.010 -8.114 1.00 0.00 O ATOM 832 CB SER A 55 0.460 12.487 -6.344 1.00 0.00 C ATOM 833 OG SER A 55 -0.747 13.140 -5.991 1.00 0.00 O ATOM 0 H SER A 55 2.927 12.809 -7.481 1.00 0.00 H new ATOM 0 HA SER A 55 0.185 12.271 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.343 11.410 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.257 12.799 -5.669 1.00 0.00 H new ATOM 0 HG SER A 55 -0.680 13.477 -5.073 1.00 0.00 H new ATOM 839 N GLU A 56 -0.508 14.771 -8.155 1.00 0.00 N ATOM 840 CA GLU A 56 -0.750 16.186 -8.390 1.00 0.00 C ATOM 841 C GLU A 56 -2.130 16.602 -7.899 1.00 0.00 C ATOM 842 O GLU A 56 -2.740 17.524 -8.440 1.00 0.00 O ATOM 843 CB GLU A 56 -0.599 16.507 -9.874 1.00 0.00 C ATOM 844 CG GLU A 56 0.724 17.168 -10.199 1.00 0.00 C ATOM 845 CD GLU A 56 1.221 16.835 -11.592 1.00 0.00 C ATOM 846 OE1 GLU A 56 0.685 17.406 -12.565 1.00 0.00 O ATOM 847 OE2 GLU A 56 2.145 16.003 -11.710 1.00 0.00 O ATOM 0 H GLU A 56 -1.351 14.199 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.009 16.752 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.692 15.587 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.413 17.162 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.618 18.249 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.470 16.856 -9.468 1.00 0.00 H new ATOM 854 N ASP A 57 -2.618 15.921 -6.870 1.00 0.00 N ATOM 855 CA ASP A 57 -3.927 16.233 -6.314 1.00 0.00 C ATOM 856 C ASP A 57 -4.224 15.405 -5.063 1.00 0.00 C ATOM 857 O ASP A 57 -5.384 15.199 -4.711 1.00 0.00 O ATOM 858 CB ASP A 57 -5.004 15.998 -7.372 1.00 0.00 C ATOM 859 CG ASP A 57 -6.300 16.716 -7.049 1.00 0.00 C ATOM 860 OD1 ASP A 57 -7.143 16.129 -6.339 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.471 17.866 -7.505 1.00 0.00 O ATOM 0 H ASP A 57 -2.131 15.154 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.927 17.282 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.637 16.336 -8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.196 14.929 -7.459 1.00 0.00 H new ATOM 866 N ARG A 58 -3.169 14.950 -4.386 1.00 0.00 N ATOM 867 CA ARG A 58 -3.315 14.159 -3.166 1.00 0.00 C ATOM 868 C ARG A 58 -4.009 12.825 -3.434 1.00 0.00 C ATOM 869 O ARG A 58 -3.400 11.762 -3.318 1.00 0.00 O ATOM 870 CB ARG A 58 -4.094 14.952 -2.114 1.00 0.00 C ATOM 871 CG ARG A 58 -3.392 15.025 -0.766 1.00 0.00 C ATOM 872 CD ARG A 58 -3.265 16.460 -0.278 1.00 0.00 C ATOM 873 NE ARG A 58 -3.471 16.567 1.165 1.00 0.00 N ATOM 874 CZ ARG A 58 -3.412 17.714 1.838 1.00 0.00 C ATOM 875 NH1 ARG A 58 -3.153 18.851 1.205 1.00 0.00 N ATOM 876 NH2 ARG A 58 -3.611 17.723 3.150 1.00 0.00 N ATOM 0 H ARG A 58 -2.202 15.117 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.314 13.943 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.261 15.964 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.075 14.496 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.947 14.439 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.401 14.578 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.277 16.844 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.993 17.085 -0.796 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.672 15.714 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.998 18.850 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.109 19.727 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.809 16.852 3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.566 18.601 3.667 1.00 0.00 H new ATOM 890 N VAL A 59 -5.290 12.888 -3.784 1.00 0.00 N ATOM 891 CA VAL A 59 -6.075 11.688 -4.058 1.00 0.00 C ATOM 892 C VAL A 59 -5.407 10.807 -5.109 1.00 0.00 C ATOM 893 O VAL A 59 -5.476 9.579 -5.038 1.00 0.00 O ATOM 894 CB VAL A 59 -7.497 12.051 -4.534 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.441 12.873 -5.811 1.00 0.00 C ATOM 896 CG2 VAL A 59 -8.335 10.796 -4.735 1.00 0.00 C ATOM 0 H VAL A 59 -5.809 13.761 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.137 11.133 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.972 12.655 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.454 13.119 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.885 13.793 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.944 12.298 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.334 11.075 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.864 10.161 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.408 10.252 -3.793 1.00 0.00 H new ATOM 906 N SER A 60 -4.764 11.436 -6.086 1.00 0.00 N ATOM 907 CA SER A 60 -4.090 10.702 -7.151 1.00 0.00 C ATOM 908 C SER A 60 -2.971 9.826 -6.596 1.00 0.00 C ATOM 909 O SER A 60 -2.817 8.676 -7.004 1.00 0.00 O ATOM 910 CB SER A 60 -3.529 11.670 -8.193 1.00 0.00 C ATOM 911 OG SER A 60 -3.649 11.138 -9.501 1.00 0.00 O ATOM 0 H SER A 60 -4.695 12.451 -6.163 1.00 0.00 H new ATOM 0 HA SER A 60 -4.826 10.054 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.059 12.620 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.481 11.876 -7.976 1.00 0.00 H new ATOM 0 HG SER A 60 -3.285 11.777 -10.149 1.00 0.00 H new ATOM 917 N LEU A 61 -2.192 10.369 -5.661 1.00 0.00 N ATOM 918 CA LEU A 61 -1.095 9.613 -5.064 1.00 0.00 C ATOM 919 C LEU A 61 -1.606 8.291 -4.502 1.00 0.00 C ATOM 920 O LEU A 61 -1.095 7.226 -4.841 1.00 0.00 O ATOM 921 CB LEU A 61 -0.409 10.427 -3.961 1.00 0.00 C ATOM 922 CG LEU A 61 1.024 9.993 -3.623 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.059 8.521 -3.246 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.957 10.261 -4.794 1.00 0.00 C ATOM 0 H LEU A 61 -2.299 11.319 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.362 9.404 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.393 11.475 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.013 10.364 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 61 1.366 10.579 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.083 8.230 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.424 8.353 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.696 7.923 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.968 9.946 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.616 9.702 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.957 11.327 -5.023 1.00 0.00 H new ATOM 936 N LEU A 62 -2.629 8.362 -3.655 1.00 0.00 N ATOM 937 CA LEU A 62 -3.210 7.159 -3.068 1.00 0.00 C ATOM 938 C LEU A 62 -3.716 6.226 -4.163 1.00 0.00 C ATOM 939 O LEU A 62 -3.586 5.006 -4.068 1.00 0.00 O ATOM 940 CB LEU A 62 -4.362 7.522 -2.120 1.00 0.00 C ATOM 941 CG LEU A 62 -4.635 6.513 -0.996 1.00 0.00 C ATOM 942 CD1 LEU A 62 -4.386 5.088 -1.474 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.769 6.824 0.215 1.00 0.00 C ATOM 0 H LEU A 62 -3.070 9.234 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.434 6.649 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.148 8.491 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.272 7.638 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.683 6.598 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.586 4.391 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.045 4.865 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.348 4.987 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.973 6.100 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.717 6.767 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.995 7.827 0.576 1.00 0.00 H new ATOM 955 N TYR A 63 -4.291 6.815 -5.207 1.00 0.00 N ATOM 956 CA TYR A 63 -4.816 6.046 -6.329 1.00 0.00 C ATOM 957 C TYR A 63 -3.700 5.294 -7.046 1.00 0.00 C ATOM 958 O TYR A 63 -3.902 4.184 -7.538 1.00 0.00 O ATOM 959 CB TYR A 63 -5.543 6.973 -7.310 1.00 0.00 C ATOM 960 CG TYR A 63 -5.981 6.294 -8.591 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.346 4.952 -8.605 1.00 0.00 C ATOM 962 CD2 TYR A 63 -6.026 6.996 -9.789 1.00 0.00 C ATOM 963 CE1 TYR A 63 -6.744 4.332 -9.774 1.00 0.00 C ATOM 964 CE2 TYR A 63 -6.423 6.383 -10.962 1.00 0.00 C ATOM 965 CZ TYR A 63 -6.780 5.052 -10.950 1.00 0.00 C ATOM 966 OH TYR A 63 -7.176 4.438 -12.115 1.00 0.00 O ATOM 0 H TYR A 63 -4.405 7.824 -5.299 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.523 5.314 -5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.419 7.393 -6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.887 7.807 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.318 4.385 -7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.746 8.039 -9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.025 3.289 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.453 6.944 -11.884 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.988 3.915 -11.949 1.00 0.00 H new ATOM 976 N ASP A 64 -2.524 5.909 -7.107 1.00 0.00 N ATOM 977 CA ASP A 64 -1.378 5.299 -7.772 1.00 0.00 C ATOM 978 C ASP A 64 -0.459 4.592 -6.777 1.00 0.00 C ATOM 979 O ASP A 64 0.437 3.849 -7.176 1.00 0.00 O ATOM 980 CB ASP A 64 -0.589 6.358 -8.542 1.00 0.00 C ATOM 981 CG ASP A 64 -1.073 6.516 -9.970 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.661 5.708 -10.829 1.00 0.00 O ATOM 983 OD2 ASP A 64 -1.864 7.447 -10.229 1.00 0.00 O ATOM 0 H ASP A 64 -2.339 6.828 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.761 4.552 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.671 7.315 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.467 6.088 -8.547 1.00 0.00 H new ATOM 988 N TRP A 65 -0.674 4.827 -5.484 1.00 0.00 N ATOM 989 CA TRP A 65 0.154 4.206 -4.457 1.00 0.00 C ATOM 990 C TRP A 65 -0.167 2.721 -4.320 1.00 0.00 C ATOM 991 O TRP A 65 0.722 1.872 -4.388 1.00 0.00 O ATOM 992 CB TRP A 65 -0.038 4.905 -3.112 1.00 0.00 C ATOM 993 CG TRP A 65 1.099 4.707 -2.145 1.00 0.00 C ATOM 994 CD1 TRP A 65 1.156 5.181 -0.866 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.335 3.995 -2.361 1.00 0.00 C ATOM 996 NE1 TRP A 65 2.340 4.814 -0.275 1.00 0.00 N ATOM 997 CE2 TRP A 65 3.078 4.086 -1.167 1.00 0.00 C ATOM 998 CE3 TRP A 65 2.891 3.289 -3.439 1.00 0.00 C ATOM 999 CZ2 TRP A 65 4.335 3.505 -1.020 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.139 2.713 -3.288 1.00 0.00 C ATOM 1001 CH2 TRP A 65 4.848 2.824 -2.088 1.00 0.00 C ATOM 0 H TRP A 65 -1.408 5.438 -5.127 1.00 0.00 H new ATOM 0 HA TRP A 65 1.195 4.310 -4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.170 5.973 -3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.957 4.540 -2.654 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.381 5.761 -0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.624 5.047 0.677 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.353 3.197 -4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.885 3.590 -0.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 4.574 2.167 -4.112 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.821 2.362 -2.003 1.00 0.00 H new ATOM 1012 N LEU A 66 -1.443 2.410 -4.132 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.874 1.027 -3.990 1.00 0.00 C ATOM 1014 C LEU A 66 -1.658 0.263 -5.289 1.00 0.00 C ATOM 1015 O LEU A 66 -1.093 -0.831 -5.287 1.00 0.00 O ATOM 1016 CB LEU A 66 -3.345 0.967 -3.571 1.00 0.00 C ATOM 1017 CG LEU A 66 -3.683 -0.104 -2.531 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -5.184 -0.162 -2.291 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -3.159 -1.462 -2.974 1.00 0.00 C ATOM 0 H LEU A 66 -2.196 3.096 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.273 0.557 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.633 1.940 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.952 0.793 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.196 0.163 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.404 -0.929 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.532 0.805 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.693 -0.403 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.408 -2.211 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.616 -1.736 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.077 -1.413 -3.092 1.00 0.00 H new ATOM 1031 N ASP A 67 -2.088 0.848 -6.404 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.908 0.213 -7.705 1.00 0.00 C ATOM 1033 C ASP A 67 -0.447 -0.177 -7.881 1.00 0.00 C ATOM 1034 O ASP A 67 -0.129 -1.197 -8.492 1.00 0.00 O ATOM 1035 CB ASP A 67 -2.346 1.153 -8.830 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.544 0.425 -10.145 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.918 -0.640 -10.335 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -3.325 0.919 -10.985 1.00 0.00 O ATOM 0 H ASP A 67 -2.559 1.752 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.528 -0.682 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.276 1.646 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.597 1.935 -8.959 1.00 0.00 H new ATOM 1043 N GLU A 68 0.437 0.637 -7.309 1.00 0.00 N ATOM 1044 CA GLU A 68 1.865 0.374 -7.367 1.00 0.00 C ATOM 1045 C GLU A 68 2.167 -0.921 -6.627 1.00 0.00 C ATOM 1046 O GLU A 68 2.971 -1.738 -7.075 1.00 0.00 O ATOM 1047 CB GLU A 68 2.644 1.531 -6.740 1.00 0.00 C ATOM 1048 CG GLU A 68 3.825 1.995 -7.577 1.00 0.00 C ATOM 1049 CD GLU A 68 3.398 2.736 -8.829 1.00 0.00 C ATOM 1050 OE1 GLU A 68 2.923 2.076 -9.777 1.00 0.00 O ATOM 1051 OE2 GLU A 68 3.539 3.976 -8.861 1.00 0.00 O ATOM 0 H GLU A 68 0.185 1.484 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 68 2.171 0.278 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.967 2.371 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.004 1.225 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.460 2.644 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.428 1.131 -7.858 1.00 0.00 H new ATOM 1058 N LEU A 69 1.494 -1.102 -5.495 1.00 0.00 N ATOM 1059 CA LEU A 69 1.664 -2.301 -4.689 1.00 0.00 C ATOM 1060 C LEU A 69 1.256 -3.532 -5.489 1.00 0.00 C ATOM 1061 O LEU A 69 1.812 -4.616 -5.313 1.00 0.00 O ATOM 1062 CB LEU A 69 0.833 -2.205 -3.405 1.00 0.00 C ATOM 1063 CG LEU A 69 1.644 -2.016 -2.122 1.00 0.00 C ATOM 1064 CD1 LEU A 69 1.806 -0.537 -1.806 1.00 0.00 C ATOM 1065 CD2 LEU A 69 0.981 -2.742 -0.962 1.00 0.00 C ATOM 0 H LEU A 69 0.825 -0.431 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 69 2.715 -2.391 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.136 -1.372 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.235 -3.111 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 69 2.635 -2.444 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.386 -0.422 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.325 -0.044 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.824 -0.084 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.571 -2.597 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.022 -2.344 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.918 -3.807 -1.187 1.00 0.00 H new ATOM 1077 N LEU A 70 0.279 -3.349 -6.374 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.212 -4.436 -7.211 1.00 0.00 C ATOM 1079 C LEU A 70 0.909 -5.008 -8.072 1.00 0.00 C ATOM 1080 O LEU A 70 1.146 -6.216 -8.080 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.355 -3.940 -8.101 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.646 -4.753 -8.006 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.357 -4.470 -6.692 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.556 -4.447 -9.186 1.00 0.00 C ATOM 0 H LEU A 70 -0.188 -2.455 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.583 -5.228 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.575 -2.905 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.017 -3.943 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.391 -5.812 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.274 -5.057 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.706 -4.740 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.601 -3.409 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.470 -5.034 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.805 -3.386 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.045 -4.701 -10.115 1.00 0.00 H new ATOM 1096 N PHE A 71 1.596 -4.130 -8.797 1.00 0.00 N ATOM 1097 CA PHE A 71 2.693 -4.543 -9.664 1.00 0.00 C ATOM 1098 C PHE A 71 3.906 -4.966 -8.843 1.00 0.00 C ATOM 1099 O PHE A 71 4.522 -5.997 -9.112 1.00 0.00 O ATOM 1100 CB PHE A 71 3.076 -3.404 -10.613 1.00 0.00 C ATOM 1101 CG PHE A 71 2.381 -3.473 -11.943 1.00 0.00 C ATOM 1102 CD1 PHE A 71 1.023 -3.737 -12.017 1.00 0.00 C ATOM 1103 CD2 PHE A 71 3.087 -3.271 -13.118 1.00 0.00 C ATOM 1104 CE1 PHE A 71 0.382 -3.800 -13.239 1.00 0.00 C ATOM 1105 CE2 PHE A 71 2.451 -3.332 -14.343 1.00 0.00 C ATOM 1106 CZ PHE A 71 1.097 -3.598 -14.404 1.00 0.00 C ATOM 0 H PHE A 71 1.411 -3.127 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 71 2.358 -5.399 -10.250 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.841 -2.451 -10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.154 -3.423 -10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.459 -3.895 -11.109 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.146 -3.064 -13.076 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.677 -4.007 -13.284 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.012 -3.172 -15.252 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.598 -3.648 -15.361 1.00 0.00 H new ATOM 1116 N ILE A 72 4.247 -4.160 -7.843 1.00 0.00 N ATOM 1117 CA ILE A 72 5.390 -4.445 -6.984 1.00 0.00 C ATOM 1118 C ILE A 72 5.234 -5.793 -6.286 1.00 0.00 C ATOM 1119 O ILE A 72 6.216 -6.501 -6.063 1.00 0.00 O ATOM 1120 CB ILE A 72 5.587 -3.343 -5.923 1.00 0.00 C ATOM 1121 CG1 ILE A 72 5.706 -1.973 -6.595 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.821 -3.630 -5.077 1.00 0.00 C ATOM 1123 CD1 ILE A 72 5.188 -0.835 -5.744 1.00 0.00 C ATOM 0 H ILE A 72 3.747 -3.303 -7.607 1.00 0.00 H new ATOM 0 HA ILE A 72 6.269 -4.476 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 72 4.716 -3.334 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.752 -1.787 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.157 -1.990 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.944 -2.842 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.701 -4.589 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.702 -3.665 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.304 0.105 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.133 -0.998 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.753 -0.791 -4.813 1.00 0.00 H new ATOM 1135 N HIS A 73 3.999 -6.143 -5.936 1.00 0.00 N ATOM 1136 CA HIS A 73 3.732 -7.408 -5.260 1.00 0.00 C ATOM 1137 C HIS A 73 4.246 -8.584 -6.082 1.00 0.00 C ATOM 1138 O HIS A 73 5.013 -9.406 -5.586 1.00 0.00 O ATOM 1139 CB HIS A 73 2.233 -7.567 -5.002 1.00 0.00 C ATOM 1140 CG HIS A 73 1.789 -7.010 -3.684 1.00 0.00 C ATOM 1141 ND1 HIS A 73 0.465 -6.794 -3.366 1.00 0.00 N ATOM 1142 CD2 HIS A 73 2.503 -6.623 -2.599 1.00 0.00 C ATOM 1143 CE1 HIS A 73 0.382 -6.299 -2.144 1.00 0.00 C ATOM 1144 NE2 HIS A 73 1.605 -6.186 -1.657 1.00 0.00 N ATOM 0 H HIS A 73 3.172 -5.572 -6.108 1.00 0.00 H new ATOM 0 HA HIS A 73 4.258 -7.398 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.681 -7.072 -5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.976 -8.625 -5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.578 -6.653 -2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.530 -6.032 -1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.843 -5.831 -0.731 1.00 0.00 H new ATOM 1153 N ASP A 74 3.837 -8.653 -7.343 1.00 0.00 N ATOM 1154 CA ASP A 74 4.282 -9.728 -8.221 1.00 0.00 C ATOM 1155 C ASP A 74 5.725 -9.510 -8.629 1.00 0.00 C ATOM 1156 O ASP A 74 6.484 -10.465 -8.793 1.00 0.00 O ATOM 1157 CB ASP A 74 3.382 -9.833 -9.454 1.00 0.00 C ATOM 1158 CG ASP A 74 2.400 -10.985 -9.356 1.00 0.00 C ATOM 1159 OD1 ASP A 74 1.590 -10.994 -8.405 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.440 -11.876 -10.230 1.00 0.00 O ATOM 0 H ASP A 74 3.203 -7.983 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 74 4.214 -10.668 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.832 -8.900 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.001 -9.961 -10.342 1.00 0.00 H new ATOM 1165 N THR A 75 6.114 -8.250 -8.759 1.00 0.00 N ATOM 1166 CA THR A 75 7.485 -7.931 -9.109 1.00 0.00 C ATOM 1167 C THR A 75 8.403 -8.402 -7.993 1.00 0.00 C ATOM 1168 O THR A 75 9.606 -8.576 -8.189 1.00 0.00 O ATOM 1169 CB THR A 75 7.652 -6.430 -9.344 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.720 -5.966 -10.306 1.00 0.00 O ATOM 1171 CG2 THR A 75 9.036 -6.050 -9.826 1.00 0.00 C ATOM 0 H THR A 75 5.505 -7.442 -8.629 1.00 0.00 H new ATOM 0 HA THR A 75 7.747 -8.441 -10.036 1.00 0.00 H new ATOM 0 HB THR A 75 7.482 -5.965 -8.373 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.823 -5.950 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.087 -4.971 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.775 -6.350 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.244 -6.555 -10.769 1.00 0.00 H new ATOM 1179 N GLU A 76 7.812 -8.631 -6.822 1.00 0.00 N ATOM 1180 CA GLU A 76 8.556 -9.110 -5.677 1.00 0.00 C ATOM 1181 C GLU A 76 7.621 -9.632 -4.601 1.00 0.00 C ATOM 1182 O GLU A 76 7.453 -9.014 -3.551 1.00 0.00 O ATOM 1183 CB GLU A 76 9.465 -8.012 -5.119 1.00 0.00 C ATOM 1184 CG GLU A 76 10.931 -8.199 -5.473 1.00 0.00 C ATOM 1185 CD GLU A 76 11.570 -6.931 -6.005 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.845 -6.100 -6.591 1.00 0.00 O ATOM 1187 OE2 GLU A 76 12.797 -6.769 -5.838 1.00 0.00 O ATOM 0 H GLU A 76 6.817 -8.490 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 76 9.185 -9.936 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.129 -7.046 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.362 -7.983 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.475 -8.532 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.023 -8.988 -6.219 1.00 0.00 H new ATOM 1194 N PHE A 77 7.025 -10.788 -4.879 1.00 0.00 N ATOM 1195 CA PHE A 77 6.108 -11.430 -3.942 1.00 0.00 C ATOM 1196 C PHE A 77 6.682 -11.416 -2.529 1.00 0.00 C ATOM 1197 O PHE A 77 7.423 -12.317 -2.135 1.00 0.00 O ATOM 1198 CB PHE A 77 5.828 -12.871 -4.375 1.00 0.00 C ATOM 1199 CG PHE A 77 5.303 -12.989 -5.777 1.00 0.00 C ATOM 1200 CD1 PHE A 77 3.946 -12.883 -6.035 1.00 0.00 C ATOM 1201 CD2 PHE A 77 6.168 -13.207 -6.838 1.00 0.00 C ATOM 1202 CE1 PHE A 77 3.461 -12.992 -7.324 1.00 0.00 C ATOM 1203 CE2 PHE A 77 5.688 -13.317 -8.130 1.00 0.00 C ATOM 1204 CZ PHE A 77 4.333 -13.209 -8.372 1.00 0.00 C ATOM 0 H PHE A 77 7.162 -11.301 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 77 5.173 -10.870 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.747 -13.451 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.107 -13.314 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.259 -12.713 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.229 -13.292 -6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.401 -12.908 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.372 -13.487 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.956 -13.294 -9.380 1.00 0.00 H new ATOM 1214 N ILE A 78 6.343 -10.378 -1.779 1.00 0.00 N ATOM 1215 CA ILE A 78 6.828 -10.222 -0.414 1.00 0.00 C ATOM 1216 C ILE A 78 5.695 -10.366 0.597 1.00 0.00 C ATOM 1217 O ILE A 78 4.613 -9.805 0.419 1.00 0.00 O ATOM 1218 CB ILE A 78 7.496 -8.846 -0.215 1.00 0.00 C ATOM 1219 CG1 ILE A 78 6.504 -7.725 -0.526 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.735 -8.721 -1.091 1.00 0.00 C ATOM 1221 CD1 ILE A 78 7.068 -6.339 -0.301 1.00 0.00 C ATOM 0 H ILE A 78 5.730 -9.626 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 78 7.562 -11.011 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 78 7.804 -8.758 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.182 -7.813 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.617 -7.853 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.192 -7.744 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.448 -9.501 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.452 -8.828 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.309 -5.594 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.364 -6.232 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.937 -6.192 -0.942 1.00 0.00 H new ATOM 1233 N LEU A 79 5.952 -11.127 1.656 1.00 0.00 N ATOM 1234 CA LEU A 79 4.956 -11.354 2.698 1.00 0.00 C ATOM 1235 C LEU A 79 4.943 -10.207 3.702 1.00 0.00 C ATOM 1236 O LEU A 79 3.879 -9.763 4.136 1.00 0.00 O ATOM 1237 CB LEU A 79 5.235 -12.674 3.419 1.00 0.00 C ATOM 1238 CG LEU A 79 5.338 -13.898 2.508 1.00 0.00 C ATOM 1239 CD1 LEU A 79 6.057 -15.033 3.220 1.00 0.00 C ATOM 1240 CD2 LEU A 79 3.955 -14.342 2.056 1.00 0.00 C ATOM 0 H LEU A 79 6.843 -11.598 1.816 1.00 0.00 H new ATOM 0 HA LEU A 79 3.977 -11.406 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.166 -12.576 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.443 -12.847 4.147 1.00 0.00 H new ATOM 0 HG LEU A 79 5.917 -13.624 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.121 -15.896 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.061 -14.711 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.504 -15.307 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.046 -15.214 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.352 -14.599 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.474 -13.532 1.508 1.00 0.00 H new ATOM 1252 N PHE A 80 6.129 -9.727 4.069 1.00 0.00 N ATOM 1253 CA PHE A 80 6.242 -8.629 5.023 1.00 0.00 C ATOM 1254 C PHE A 80 6.946 -7.442 4.397 1.00 0.00 C ATOM 1255 O PHE A 80 7.853 -7.605 3.580 1.00 0.00 O ATOM 1256 CB PHE A 80 7.000 -9.077 6.278 1.00 0.00 C ATOM 1257 CG PHE A 80 7.469 -7.949 7.163 1.00 0.00 C ATOM 1258 CD1 PHE A 80 8.572 -7.185 6.810 1.00 0.00 C ATOM 1259 CD2 PHE A 80 6.811 -7.657 8.348 1.00 0.00 C ATOM 1260 CE1 PHE A 80 9.006 -6.152 7.621 1.00 0.00 C ATOM 1261 CE2 PHE A 80 7.241 -6.625 9.161 1.00 0.00 C ATOM 1262 CZ PHE A 80 8.340 -5.873 8.797 1.00 0.00 C ATOM 0 H PHE A 80 7.021 -10.080 3.722 1.00 0.00 H new ATOM 0 HA PHE A 80 5.233 -8.330 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.355 -9.735 6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 80 7.865 -9.666 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.098 -7.399 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.952 -8.243 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.865 -5.564 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.718 -6.407 10.080 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.678 -5.067 9.432 1.00 0.00 H new ATOM 1272 N SER A 81 6.535 -6.246 4.794 1.00 0.00 N ATOM 1273 CA SER A 81 7.152 -5.048 4.269 1.00 0.00 C ATOM 1274 C SER A 81 7.031 -3.870 5.227 1.00 0.00 C ATOM 1275 O SER A 81 5.942 -3.548 5.704 1.00 0.00 O ATOM 1276 CB SER A 81 6.543 -4.685 2.914 1.00 0.00 C ATOM 1277 OG SER A 81 7.528 -4.177 2.032 1.00 0.00 O ATOM 0 H SER A 81 5.787 -6.085 5.469 1.00 0.00 H new ATOM 0 HA SER A 81 8.214 -5.262 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.076 -5.566 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.757 -3.943 3.052 1.00 0.00 H new ATOM 0 HG SER A 81 8.311 -4.766 2.042 1.00 0.00 H new ATOM 1283 N LYS A 82 8.158 -3.207 5.469 1.00 0.00 N ATOM 1284 CA LYS A 82 8.186 -2.034 6.330 1.00 0.00 C ATOM 1285 C LYS A 82 7.753 -0.831 5.510 1.00 0.00 C ATOM 1286 O LYS A 82 7.953 -0.811 4.295 1.00 0.00 O ATOM 1287 CB LYS A 82 9.588 -1.814 6.902 1.00 0.00 C ATOM 1288 CG LYS A 82 9.627 -0.834 8.063 1.00 0.00 C ATOM 1289 CD LYS A 82 11.021 -0.261 8.262 1.00 0.00 C ATOM 1290 CE LYS A 82 10.973 1.141 8.851 1.00 0.00 C ATOM 1291 NZ LYS A 82 11.587 1.195 10.206 1.00 0.00 N ATOM 0 H LYS A 82 9.065 -3.465 5.079 1.00 0.00 H new ATOM 0 HA LYS A 82 7.507 -2.178 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.990 -2.772 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.241 -1.450 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.922 -0.023 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.305 -1.336 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.592 -0.914 8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.545 -0.237 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.495 1.831 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.937 1.476 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.534 2.167 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.074 0.556 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.583 0.900 10.148 1.00 0.00 H new ATOM 1305 N PHE A 83 7.135 0.157 6.142 1.00 0.00 N ATOM 1306 CA PHE A 83 6.672 1.315 5.390 1.00 0.00 C ATOM 1307 C PHE A 83 7.521 2.554 5.618 1.00 0.00 C ATOM 1308 O PHE A 83 7.607 3.092 6.721 1.00 0.00 O ATOM 1309 CB PHE A 83 5.214 1.624 5.749 1.00 0.00 C ATOM 1310 CG PHE A 83 4.850 1.296 7.171 1.00 0.00 C ATOM 1311 CD1 PHE A 83 5.056 2.221 8.183 1.00 0.00 C ATOM 1312 CD2 PHE A 83 4.302 0.066 7.493 1.00 0.00 C ATOM 1313 CE1 PHE A 83 4.722 1.923 9.491 1.00 0.00 C ATOM 1314 CE2 PHE A 83 3.966 -0.238 8.800 1.00 0.00 C ATOM 1315 CZ PHE A 83 4.176 0.691 9.799 1.00 0.00 C ATOM 0 H PHE A 83 6.946 0.183 7.144 1.00 0.00 H new ATOM 0 HA PHE A 83 6.759 1.055 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.024 2.682 5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.560 1.066 5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.482 3.185 7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.135 -0.664 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.887 2.652 10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.540 -1.201 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.914 0.456 10.820 1.00 0.00 H new ATOM 1325 N LYS A 84 8.086 3.023 4.516 1.00 0.00 N ATOM 1326 CA LYS A 84 8.880 4.236 4.479 1.00 0.00 C ATOM 1327 C LYS A 84 8.432 5.027 3.260 1.00 0.00 C ATOM 1328 O LYS A 84 8.590 4.552 2.139 1.00 0.00 O ATOM 1329 CB LYS A 84 10.378 3.908 4.412 1.00 0.00 C ATOM 1330 CG LYS A 84 11.097 4.523 3.220 1.00 0.00 C ATOM 1331 CD LYS A 84 12.607 4.452 3.380 1.00 0.00 C ATOM 1332 CE LYS A 84 13.115 5.495 4.364 1.00 0.00 C ATOM 1333 NZ LYS A 84 13.489 4.894 5.675 1.00 0.00 N ATOM 0 H LYS A 84 8.003 2.563 3.610 1.00 0.00 H new ATOM 0 HA LYS A 84 8.732 4.822 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.856 4.254 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.501 2.825 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.802 4.003 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.791 5.563 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.891 3.457 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.084 4.602 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.981 6.003 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.346 6.252 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.241 5.462 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.657 4.878 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.830 3.923 5.527 1.00 0.00 H new ATOM 1347 N VAL A 85 7.851 6.199 3.453 1.00 0.00 N ATOM 1348 CA VAL A 85 7.376 6.975 2.313 1.00 0.00 C ATOM 1349 C VAL A 85 7.959 8.375 2.273 1.00 0.00 C ATOM 1350 O VAL A 85 8.283 8.975 3.299 1.00 0.00 O ATOM 1351 CB VAL A 85 5.839 7.027 2.259 1.00 0.00 C ATOM 1352 CG1 VAL A 85 5.247 6.954 3.645 1.00 0.00 C ATOM 1353 CG2 VAL A 85 5.333 8.260 1.544 1.00 0.00 C ATOM 0 H VAL A 85 7.698 6.629 4.365 1.00 0.00 H new ATOM 0 HA VAL A 85 7.732 6.452 1.426 1.00 0.00 H new ATOM 0 HB VAL A 85 5.516 6.157 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.160 6.993 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.549 6.021 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.604 7.796 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.243 8.252 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.683 9.152 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.707 8.266 0.520 1.00 0.00 H new ATOM 1363 N LYS A 86 8.107 8.864 1.054 1.00 0.00 N ATOM 1364 CA LYS A 86 8.672 10.169 0.794 1.00 0.00 C ATOM 1365 C LYS A 86 7.778 10.970 -0.149 1.00 0.00 C ATOM 1366 O LYS A 86 7.572 10.567 -1.281 1.00 0.00 O ATOM 1367 CB LYS A 86 10.036 9.958 0.139 1.00 0.00 C ATOM 1368 CG LYS A 86 11.075 11.001 0.518 1.00 0.00 C ATOM 1369 CD LYS A 86 12.202 10.397 1.339 1.00 0.00 C ATOM 1370 CE LYS A 86 13.312 9.858 0.450 1.00 0.00 C ATOM 1371 NZ LYS A 86 14.347 9.128 1.233 1.00 0.00 N ATOM 0 H LYS A 86 7.834 8.358 0.211 1.00 0.00 H new ATOM 0 HA LYS A 86 8.762 10.725 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.410 8.972 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.911 9.962 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.484 11.452 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.599 11.800 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.608 11.152 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.810 9.593 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.885 9.190 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.779 10.683 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.246 9.132 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.480 9.595 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.039 8.146 1.385 1.00 0.00 H new ATOM 1385 N ILE A 87 7.265 12.109 0.294 1.00 0.00 N ATOM 1386 CA ILE A 87 6.417 12.929 -0.571 1.00 0.00 C ATOM 1387 C ILE A 87 6.906 14.372 -0.606 1.00 0.00 C ATOM 1388 O ILE A 87 7.362 14.906 0.404 1.00 0.00 O ATOM 1389 CB ILE A 87 4.935 12.881 -0.132 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.096 13.899 -0.918 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.817 13.124 1.361 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.653 13.990 -0.458 1.00 0.00 C ATOM 0 H ILE A 87 7.415 12.485 1.230 1.00 0.00 H new ATOM 0 HA ILE A 87 6.485 12.510 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 87 4.546 11.887 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.558 14.882 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.114 13.632 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.768 13.087 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.371 12.355 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.227 14.104 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.125 14.729 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.173 13.018 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.623 14.288 0.590 1.00 0.00 H new ATOM 1404 N ASP A 88 6.812 14.996 -1.777 1.00 0.00 N ATOM 1405 CA ASP A 88 7.250 16.371 -1.937 1.00 0.00 C ATOM 1406 C ASP A 88 6.121 17.232 -2.483 1.00 0.00 C ATOM 1407 O ASP A 88 5.622 16.981 -3.577 1.00 0.00 O ATOM 1408 CB ASP A 88 8.434 16.405 -2.904 1.00 0.00 C ATOM 1409 CG ASP A 88 8.948 17.810 -3.153 1.00 0.00 C ATOM 1410 OD1 ASP A 88 9.339 18.481 -2.175 1.00 0.00 O ATOM 1411 OD2 ASP A 88 8.959 18.240 -4.326 1.00 0.00 O ATOM 0 H ASP A 88 6.437 14.569 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 88 7.547 16.767 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.242 15.793 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.136 15.958 -3.853 1.00 0.00 H new ATOM 1416 N GLU A 89 5.734 18.262 -1.738 1.00 0.00 N ATOM 1417 CA GLU A 89 4.675 19.149 -2.193 1.00 0.00 C ATOM 1418 C GLU A 89 5.243 20.477 -2.657 1.00 0.00 C ATOM 1419 O GLU A 89 5.737 21.281 -1.867 1.00 0.00 O ATOM 1420 CB GLU A 89 3.649 19.374 -1.082 1.00 0.00 C ATOM 1421 CG GLU A 89 4.270 19.746 0.255 1.00 0.00 C ATOM 1422 CD GLU A 89 4.336 18.573 1.213 1.00 0.00 C ATOM 1423 OE1 GLU A 89 5.166 17.668 0.989 1.00 0.00 O ATOM 1424 OE2 GLU A 89 3.557 18.560 2.189 1.00 0.00 O ATOM 0 H GLU A 89 6.132 18.499 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 89 4.178 18.673 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.963 20.165 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.056 18.468 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.276 20.132 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.691 20.550 0.710 1.00 0.00 H new ATOM 1431 N LYS A 90 5.134 20.690 -3.950 1.00 0.00 N ATOM 1432 CA LYS A 90 5.589 21.907 -4.591 1.00 0.00 C ATOM 1433 C LYS A 90 4.498 22.394 -5.524 1.00 0.00 C ATOM 1434 O LYS A 90 3.366 21.920 -5.446 1.00 0.00 O ATOM 1435 CB LYS A 90 6.911 21.705 -5.343 1.00 0.00 C ATOM 1436 CG LYS A 90 7.399 20.270 -5.362 1.00 0.00 C ATOM 1437 CD LYS A 90 6.700 19.483 -6.449 1.00 0.00 C ATOM 1438 CE LYS A 90 7.572 19.373 -7.694 1.00 0.00 C ATOM 1439 NZ LYS A 90 6.805 19.660 -8.938 1.00 0.00 N ATOM 0 H LYS A 90 4.722 20.015 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 90 5.788 22.657 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.789 22.050 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.676 22.332 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.476 20.249 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.215 19.805 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.458 18.486 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.757 19.967 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.407 20.069 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.996 18.371 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.399 20.206 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.525 18.765 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.954 20.210 -8.702 1.00 0.00 H new ATOM 1453 N ASP A 91 4.840 23.341 -6.387 1.00 0.00 N ATOM 1454 CA ASP A 91 3.905 23.919 -7.356 1.00 0.00 C ATOM 1455 C ASP A 91 2.664 23.054 -7.620 1.00 0.00 C ATOM 1456 O ASP A 91 1.569 23.587 -7.797 1.00 0.00 O ATOM 1457 CB ASP A 91 4.627 24.192 -8.676 1.00 0.00 C ATOM 1458 CG ASP A 91 3.993 25.325 -9.458 1.00 0.00 C ATOM 1459 OD1 ASP A 91 2.836 25.167 -9.902 1.00 0.00 O ATOM 1460 OD2 ASP A 91 4.654 26.372 -9.628 1.00 0.00 O ATOM 0 H ASP A 91 5.779 23.736 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 91 3.545 24.847 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.670 24.434 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.622 23.287 -9.284 1.00 0.00 H new ATOM 1465 N ASP A 92 2.830 21.729 -7.644 1.00 0.00 N ATOM 1466 CA ASP A 92 1.712 20.817 -7.887 1.00 0.00 C ATOM 1467 C ASP A 92 2.229 19.430 -8.235 1.00 0.00 C ATOM 1468 O ASP A 92 1.612 18.420 -7.899 1.00 0.00 O ATOM 1469 CB ASP A 92 0.817 21.328 -9.023 1.00 0.00 C ATOM 1470 CG ASP A 92 1.614 21.900 -10.180 1.00 0.00 C ATOM 1471 OD1 ASP A 92 2.337 21.126 -10.843 1.00 0.00 O ATOM 1472 OD2 ASP A 92 1.513 23.120 -10.425 1.00 0.00 O ATOM 0 H ASP A 92 3.727 21.265 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 92 1.120 20.767 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.193 20.511 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.145 22.094 -8.635 1.00 0.00 H new ATOM 1477 N GLY A 93 3.372 19.393 -8.907 1.00 0.00 N ATOM 1478 CA GLY A 93 3.966 18.125 -9.289 1.00 0.00 C ATOM 1479 C GLY A 93 4.617 17.429 -8.113 1.00 0.00 C ATOM 1480 O GLY A 93 5.833 17.469 -7.959 1.00 0.00 O ATOM 0 H GLY A 93 3.899 20.218 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.199 17.478 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.709 18.293 -10.068 1.00 0.00 H new ATOM 1484 N LEU A 94 3.808 16.792 -7.273 1.00 0.00 N ATOM 1485 CA LEU A 94 4.336 16.109 -6.100 1.00 0.00 C ATOM 1486 C LEU A 94 4.613 14.641 -6.392 1.00 0.00 C ATOM 1487 O LEU A 94 3.854 13.983 -7.096 1.00 0.00 O ATOM 1488 CB LEU A 94 3.365 16.246 -4.919 1.00 0.00 C ATOM 1489 CG LEU A 94 2.090 15.402 -4.999 1.00 0.00 C ATOM 1490 CD1 LEU A 94 1.751 14.838 -3.627 1.00 0.00 C ATOM 1491 CD2 LEU A 94 0.931 16.230 -5.535 1.00 0.00 C ATOM 0 H LEU A 94 2.795 16.735 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 94 5.282 16.582 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.896 15.981 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.079 17.294 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 94 2.263 14.574 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.843 14.239 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.573 14.213 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.594 15.657 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.034 15.612 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.752 17.077 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.175 16.595 -6.533 1.00 0.00 H new ATOM 1503 N HIS A 95 5.722 14.142 -5.853 1.00 0.00 N ATOM 1504 CA HIS A 95 6.119 12.755 -6.062 1.00 0.00 C ATOM 1505 C HIS A 95 6.353 12.039 -4.738 1.00 0.00 C ATOM 1506 O HIS A 95 6.849 12.630 -3.779 1.00 0.00 O ATOM 1507 CB HIS A 95 7.380 12.686 -6.926 1.00 0.00 C ATOM 1508 CG HIS A 95 8.582 13.302 -6.279 1.00 0.00 C ATOM 1509 ND1 HIS A 95 9.700 12.577 -5.924 1.00 0.00 N ATOM 1510 CD2 HIS A 95 8.838 14.584 -5.924 1.00 0.00 C ATOM 1511 CE1 HIS A 95 10.591 13.385 -5.378 1.00 0.00 C ATOM 1512 NE2 HIS A 95 10.093 14.607 -5.367 1.00 0.00 N ATOM 0 H HIS A 95 6.362 14.679 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 95 5.303 12.250 -6.580 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.596 11.643 -7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.189 13.189 -7.874 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.820 11.573 -6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.179 15.429 -6.055 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.562 13.095 -5.004 1.00 0.00 H new ATOM 1521 N LEU A 96 5.985 10.761 -4.691 1.00 0.00 N ATOM 1522 CA LEU A 96 6.146 9.965 -3.484 1.00 0.00 C ATOM 1523 C LEU A 96 7.226 8.892 -3.653 1.00 0.00 C ATOM 1524 O LEU A 96 7.335 8.270 -4.705 1.00 0.00 O ATOM 1525 CB LEU A 96 4.820 9.310 -3.100 1.00 0.00 C ATOM 1526 CG LEU A 96 4.815 8.636 -1.729 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.459 8.793 -1.059 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.185 7.166 -1.856 1.00 0.00 C ATOM 0 H LEU A 96 5.573 10.257 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 96 6.462 10.638 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.037 10.068 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.565 8.567 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 96 5.562 9.125 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.476 8.306 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.237 9.852 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.691 8.333 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.176 6.702 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.463 6.663 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.181 7.078 -2.290 1.00 0.00 H new ATOM 1540 N THR A 97 8.007 8.667 -2.599 1.00 0.00 N ATOM 1541 CA THR A 97 9.056 7.654 -2.615 1.00 0.00 C ATOM 1542 C THR A 97 8.848 6.698 -1.448 1.00 0.00 C ATOM 1543 O THR A 97 8.840 7.103 -0.292 1.00 0.00 O ATOM 1544 CB THR A 97 10.445 8.290 -2.547 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.413 9.620 -3.035 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.488 7.536 -3.343 1.00 0.00 C ATOM 0 H THR A 97 7.931 9.177 -1.719 1.00 0.00 H new ATOM 0 HA THR A 97 8.996 7.103 -3.553 1.00 0.00 H new ATOM 0 HB THR A 97 10.723 8.262 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.311 10.010 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.450 8.040 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.574 6.519 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.193 7.504 -4.392 1.00 0.00 H new ATOM 1554 N GLY A 98 8.653 5.439 -1.766 1.00 0.00 N ATOM 1555 CA GLY A 98 8.404 4.433 -0.742 1.00 0.00 C ATOM 1556 C GLY A 98 9.362 3.254 -0.790 1.00 0.00 C ATOM 1557 O GLY A 98 9.847 2.880 -1.855 1.00 0.00 O ATOM 0 H GLY A 98 8.661 5.081 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.471 4.903 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.384 4.064 -0.850 1.00 0.00 H new ATOM 1561 N THR A 99 9.637 2.676 0.379 1.00 0.00 N ATOM 1562 CA THR A 99 10.548 1.538 0.487 1.00 0.00 C ATOM 1563 C THR A 99 9.846 0.299 1.046 1.00 0.00 C ATOM 1564 O THR A 99 9.007 0.401 1.942 1.00 0.00 O ATOM 1565 CB THR A 99 11.720 1.897 1.396 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.341 3.096 0.965 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.784 0.824 1.458 1.00 0.00 C ATOM 0 H THR A 99 9.240 2.979 1.268 1.00 0.00 H new ATOM 0 HA THR A 99 10.904 1.307 -0.517 1.00 0.00 H new ATOM 0 HB THR A 99 11.288 2.011 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.315 2.999 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.587 1.145 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.347 -0.100 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.186 0.652 0.460 1.00 0.00 H new ATOM 1575 N ALA A 100 10.212 -0.874 0.527 1.00 0.00 N ATOM 1576 CA ALA A 100 9.634 -2.135 0.989 1.00 0.00 C ATOM 1577 C ALA A 100 10.718 -3.204 1.147 1.00 0.00 C ATOM 1578 O ALA A 100 11.550 -3.389 0.261 1.00 0.00 O ATOM 1579 CB ALA A 100 8.556 -2.607 0.024 1.00 0.00 C ATOM 0 H ALA A 100 10.906 -0.976 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 100 9.179 -1.967 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.135 -3.547 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.768 -1.856 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.992 -2.757 -0.964 1.00 0.00 H new ATOM 1585 N MET A 101 10.703 -3.899 2.285 1.00 0.00 N ATOM 1586 CA MET A 101 11.687 -4.947 2.570 1.00 0.00 C ATOM 1587 C MET A 101 11.001 -6.227 3.050 1.00 0.00 C ATOM 1588 O MET A 101 9.910 -6.171 3.611 1.00 0.00 O ATOM 1589 CB MET A 101 12.672 -4.450 3.635 1.00 0.00 C ATOM 1590 CG MET A 101 13.915 -5.311 3.786 1.00 0.00 C ATOM 1591 SD MET A 101 14.999 -4.736 5.106 1.00 0.00 S ATOM 1592 CE MET A 101 16.601 -4.899 4.322 1.00 0.00 C ATOM 0 H MET A 101 10.018 -3.755 3.027 1.00 0.00 H new ATOM 0 HA MET A 101 12.226 -5.176 1.651 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.976 -3.433 3.386 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.158 -4.403 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.618 -6.340 3.987 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.465 -5.317 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 101 17.345 -5.178 5.068 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.553 -5.669 3.552 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.882 -3.949 3.867 1.00 0.00 H new ATOM 1602 N GLY A 102 11.636 -7.386 2.840 1.00 0.00 N ATOM 1603 CA GLY A 102 11.033 -8.630 3.281 1.00 0.00 C ATOM 1604 C GLY A 102 10.499 -9.455 2.133 1.00 0.00 C ATOM 1605 O GLY A 102 9.312 -9.779 2.093 1.00 0.00 O ATOM 0 H GLY A 102 12.541 -7.480 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.772 -9.213 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.221 -8.410 3.974 1.00 0.00 H new ATOM 1609 N GLU A 103 11.374 -9.800 1.199 1.00 0.00 N ATOM 1610 CA GLU A 103 10.977 -10.595 0.048 1.00 0.00 C ATOM 1611 C GLU A 103 11.424 -12.044 0.205 1.00 0.00 C ATOM 1612 O GLU A 103 12.619 -12.338 0.256 1.00 0.00 O ATOM 1613 CB GLU A 103 11.553 -9.996 -1.235 1.00 0.00 C ATOM 1614 CG GLU A 103 11.163 -10.766 -2.486 1.00 0.00 C ATOM 1615 CD GLU A 103 12.343 -11.034 -3.400 1.00 0.00 C ATOM 1616 OE1 GLU A 103 13.292 -11.716 -2.958 1.00 0.00 O ATOM 1617 OE2 GLU A 103 12.317 -10.564 -4.556 1.00 0.00 O ATOM 0 H GLU A 103 12.361 -9.542 1.216 1.00 0.00 H new ATOM 0 HA GLU A 103 9.889 -10.581 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.213 -8.965 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.640 -9.968 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.710 -11.714 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.406 -10.204 -3.032 1.00 0.00 H new ATOM 1624 N GLU A 104 10.449 -12.946 0.282 1.00 0.00 N ATOM 1625 CA GLU A 104 10.721 -14.371 0.436 1.00 0.00 C ATOM 1626 C GLU A 104 9.414 -15.154 0.548 1.00 0.00 C ATOM 1627 O GLU A 104 9.079 -15.681 1.610 1.00 0.00 O ATOM 1628 CB GLU A 104 11.594 -14.619 1.672 1.00 0.00 C ATOM 1629 CG GLU A 104 13.010 -15.061 1.338 1.00 0.00 C ATOM 1630 CD GLU A 104 13.721 -15.682 2.524 1.00 0.00 C ATOM 1631 OE1 GLU A 104 14.064 -14.938 3.466 1.00 0.00 O ATOM 1632 OE2 GLU A 104 13.932 -16.913 2.511 1.00 0.00 O ATOM 0 H GLU A 104 9.457 -12.712 0.240 1.00 0.00 H new ATOM 0 HA GLU A 104 11.260 -14.716 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.638 -13.705 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.122 -15.380 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.979 -15.781 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.581 -14.202 0.985 1.00 0.00 H new ATOM 1639 N ILE A 105 8.674 -15.217 -0.554 1.00 0.00 N ATOM 1640 CA ILE A 105 7.400 -15.924 -0.583 1.00 0.00 C ATOM 1641 C ILE A 105 7.605 -17.438 -0.556 1.00 0.00 C ATOM 1642 O ILE A 105 8.357 -17.986 -1.362 1.00 0.00 O ATOM 1643 CB ILE A 105 6.574 -15.530 -1.830 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.099 -15.893 -1.634 1.00 0.00 C ATOM 1645 CG2 ILE A 105 7.132 -16.191 -3.084 1.00 0.00 C ATOM 1646 CD1 ILE A 105 4.830 -17.382 -1.622 1.00 0.00 C ATOM 0 H ILE A 105 8.936 -14.786 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 105 6.848 -15.632 0.311 1.00 0.00 H new ATOM 0 HB ILE A 105 6.647 -14.450 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.751 -15.463 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.513 -15.434 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.534 -15.898 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.164 -15.874 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.098 -17.274 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.764 -17.558 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.145 -17.816 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.387 -17.846 -0.808 1.00 0.00 H new ATOM 1658 N LYS A 106 6.930 -18.106 0.375 1.00 0.00 N ATOM 1659 CA LYS A 106 7.036 -19.556 0.504 1.00 0.00 C ATOM 1660 C LYS A 106 5.774 -20.241 -0.012 1.00 0.00 C ATOM 1661 O LYS A 106 4.662 -19.762 0.208 1.00 0.00 O ATOM 1662 CB LYS A 106 7.283 -19.943 1.965 1.00 0.00 C ATOM 1663 CG LYS A 106 8.732 -20.298 2.264 1.00 0.00 C ATOM 1664 CD LYS A 106 8.858 -21.700 2.841 1.00 0.00 C ATOM 1665 CE LYS A 106 9.012 -22.742 1.744 1.00 0.00 C ATOM 1666 NZ LYS A 106 7.696 -23.269 1.289 1.00 0.00 N ATOM 0 H LYS A 106 6.304 -17.667 1.051 1.00 0.00 H new ATOM 0 HA LYS A 106 7.880 -19.890 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.980 -19.116 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.649 -20.793 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.321 -20.226 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.146 -19.576 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.718 -21.744 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.977 -21.929 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.539 -22.302 0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.626 -23.565 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.639 -24.287 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.931 -22.771 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.597 -23.118 0.265 1.00 0.00 H new ATOM 1680 N GLU A 107 5.955 -21.365 -0.698 1.00 0.00 N ATOM 1681 CA GLU A 107 4.832 -22.117 -1.249 1.00 0.00 C ATOM 1682 C GLU A 107 3.773 -22.391 -0.184 1.00 0.00 C ATOM 1683 O GLU A 107 3.953 -23.249 0.680 1.00 0.00 O ATOM 1684 CB GLU A 107 5.323 -23.437 -1.847 1.00 0.00 C ATOM 1685 CG GLU A 107 4.667 -23.787 -3.172 1.00 0.00 C ATOM 1686 CD GLU A 107 5.625 -24.461 -4.135 1.00 0.00 C ATOM 1687 OE1 GLU A 107 6.636 -23.829 -4.507 1.00 0.00 O ATOM 1688 OE2 GLU A 107 5.364 -25.621 -4.518 1.00 0.00 O ATOM 0 H GLU A 107 6.869 -21.776 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 107 4.377 -21.513 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.402 -23.382 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.135 -24.241 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.817 -24.445 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.275 -22.879 -3.631 1.00 0.00 H new ATOM 1695 N GLY A 108 2.667 -21.657 -0.256 1.00 0.00 N ATOM 1696 CA GLY A 108 1.593 -21.836 0.705 1.00 0.00 C ATOM 1697 C GLY A 108 1.895 -21.194 2.045 1.00 0.00 C ATOM 1698 O GLY A 108 1.434 -21.667 3.084 1.00 0.00 O ATOM 0 H GLY A 108 2.495 -20.942 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.675 -21.410 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.414 -22.901 0.849 1.00 0.00 H new ATOM 1702 N HIS A 109 2.669 -20.115 2.023 1.00 0.00 N ATOM 1703 CA HIS A 109 3.029 -19.410 3.248 1.00 0.00 C ATOM 1704 C HIS A 109 1.888 -18.512 3.716 1.00 0.00 C ATOM 1705 O HIS A 109 1.515 -17.557 3.033 1.00 0.00 O ATOM 1706 CB HIS A 109 4.294 -18.577 3.030 1.00 0.00 C ATOM 1707 CG HIS A 109 5.027 -18.266 4.298 1.00 0.00 C ATOM 1708 ND1 HIS A 109 6.269 -17.665 4.322 1.00 0.00 N ATOM 1709 CD2 HIS A 109 4.688 -18.474 5.592 1.00 0.00 C ATOM 1710 CE1 HIS A 109 6.661 -17.520 5.575 1.00 0.00 C ATOM 1711 NE2 HIS A 109 5.719 -18.001 6.365 1.00 0.00 N ATOM 0 H HIS A 109 3.059 -19.710 1.172 1.00 0.00 H new ATOM 0 HA HIS A 109 3.221 -20.154 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 109 4.961 -19.113 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 109 4.025 -17.643 2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 109 3.776 -18.928 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.594 -17.082 5.898 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.752 -18.018 7.384 1.00 0.00 H new ATOM 1720 N GLU A 110 1.339 -18.822 4.887 1.00 0.00 N ATOM 1721 CA GLU A 110 0.241 -18.043 5.449 1.00 0.00 C ATOM 1722 C GLU A 110 -0.978 -18.075 4.532 1.00 0.00 C ATOM 1723 O GLU A 110 -0.943 -17.550 3.419 1.00 0.00 O ATOM 1724 CB GLU A 110 0.683 -16.597 5.684 1.00 0.00 C ATOM 1725 CG GLU A 110 1.747 -16.453 6.759 1.00 0.00 C ATOM 1726 CD GLU A 110 1.251 -16.870 8.130 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.488 -16.096 8.746 1.00 0.00 O ATOM 1728 OE2 GLU A 110 1.625 -17.969 8.588 1.00 0.00 O ATOM 0 H GLU A 110 1.637 -19.608 5.465 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.037 -18.490 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.065 -16.186 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.186 -16.001 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.613 -17.058 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.081 -15.416 6.797 1.00 0.00 H new ATOM 1735 N ARG A 111 -2.054 -18.694 5.007 1.00 0.00 N ATOM 1736 CA ARG A 111 -3.284 -18.794 4.230 1.00 0.00 C ATOM 1737 C ARG A 111 -4.375 -17.901 4.812 1.00 0.00 C ATOM 1738 O ARG A 111 -4.659 -17.951 6.009 1.00 0.00 O ATOM 1739 CB ARG A 111 -3.766 -20.245 4.185 1.00 0.00 C ATOM 1740 CG ARG A 111 -2.702 -21.227 3.723 1.00 0.00 C ATOM 1741 CD ARG A 111 -2.147 -20.847 2.360 1.00 0.00 C ATOM 1742 NE ARG A 111 -3.132 -21.030 1.297 1.00 0.00 N ATOM 1743 CZ ARG A 111 -3.423 -22.208 0.750 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -2.807 -23.310 1.162 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -4.332 -22.287 -0.212 1.00 0.00 N ATOM 0 H ARG A 111 -2.099 -19.134 5.926 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.070 -18.456 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.110 -20.536 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.625 -20.313 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.892 -21.256 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.126 -22.230 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.822 -19.807 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.266 -21.452 2.146 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.626 -20.206 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.107 -23.257 1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.034 -24.210 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.809 -21.445 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.554 -23.190 -0.631 1.00 0.00 H new ATOM 1759 N ARG A 112 -4.984 -17.087 3.957 1.00 0.00 N ATOM 1760 CA ARG A 112 -6.046 -16.182 4.382 1.00 0.00 C ATOM 1761 C ARG A 112 -6.920 -15.779 3.198 1.00 0.00 C ATOM 1762 O ARG A 112 -6.729 -16.263 2.082 1.00 0.00 O ATOM 1763 CB ARG A 112 -5.450 -14.936 5.043 1.00 0.00 C ATOM 1764 CG ARG A 112 -6.127 -14.557 6.349 1.00 0.00 C ATOM 1765 CD ARG A 112 -5.714 -13.167 6.807 1.00 0.00 C ATOM 1766 NE ARG A 112 -6.758 -12.519 7.597 1.00 0.00 N ATOM 1767 CZ ARG A 112 -6.991 -12.786 8.880 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -6.256 -13.685 9.522 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -7.960 -12.150 9.523 1.00 0.00 N ATOM 0 H ARG A 112 -4.760 -17.035 2.963 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.668 -16.705 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.390 -15.106 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.522 -14.098 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.209 -14.593 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.871 -15.286 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.802 -13.237 7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.483 -12.552 5.937 1.00 0.00 H new ATOM 0 HE ARG A 112 -7.343 -11.821 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -5.508 -14.176 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.439 -13.885 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -8.527 -11.457 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -8.139 -12.354 10.506 1.00 0.00 H new ATOM 1783 N ASP A 113 -7.879 -14.892 3.445 1.00 0.00 N ATOM 1784 CA ASP A 113 -8.777 -14.430 2.391 1.00 0.00 C ATOM 1785 C ASP A 113 -8.204 -13.203 1.689 1.00 0.00 C ATOM 1786 O ASP A 113 -7.839 -12.220 2.333 1.00 0.00 O ATOM 1787 CB ASP A 113 -10.154 -14.105 2.971 1.00 0.00 C ATOM 1788 CG ASP A 113 -10.885 -15.344 3.453 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -10.918 -16.342 2.704 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -11.424 -15.314 4.580 1.00 0.00 O ATOM 0 H ASP A 113 -8.054 -14.480 4.361 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.880 -15.230 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -10.040 -13.407 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -10.755 -13.603 2.213 1.00 0.00 H new ATOM 1795 N GLU A 114 -8.127 -13.272 0.364 1.00 0.00 N ATOM 1796 CA GLU A 114 -7.596 -12.170 -0.432 1.00 0.00 C ATOM 1797 C GLU A 114 -8.625 -11.676 -1.444 1.00 0.00 C ATOM 1798 O GLU A 114 -9.384 -12.467 -2.006 1.00 0.00 O ATOM 1799 CB GLU A 114 -6.323 -12.608 -1.158 1.00 0.00 C ATOM 1800 CG GLU A 114 -5.441 -11.449 -1.594 1.00 0.00 C ATOM 1801 CD GLU A 114 -4.272 -11.895 -2.448 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -3.387 -12.601 -1.921 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -4.241 -11.539 -3.644 1.00 0.00 O ATOM 0 H GLU A 114 -8.426 -14.080 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.360 -11.349 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.749 -13.264 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.598 -13.194 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.041 -10.731 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.065 -10.932 -0.711 1.00 0.00 H new ATOM 1810 N VAL A 115 -8.640 -10.367 -1.682 1.00 0.00 N ATOM 1811 CA VAL A 115 -9.567 -9.779 -2.635 1.00 0.00 C ATOM 1812 C VAL A 115 -9.188 -10.174 -4.058 1.00 0.00 C ATOM 1813 O VAL A 115 -8.172 -9.727 -4.590 1.00 0.00 O ATOM 1814 CB VAL A 115 -9.570 -8.245 -2.523 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -10.123 -7.808 -1.175 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -8.172 -7.688 -2.741 1.00 0.00 C ATOM 0 H VAL A 115 -8.020 -9.697 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.564 -10.155 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 115 -10.219 -7.845 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.117 -6.720 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.145 -8.172 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.504 -8.219 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -8.196 -6.601 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.497 -8.095 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.820 -7.968 -3.734 1.00 0.00 H new ATOM 1826 N LYS A 116 -10.007 -11.026 -4.664 1.00 0.00 N ATOM 1827 CA LYS A 116 -9.762 -11.502 -6.020 1.00 0.00 C ATOM 1828 C LYS A 116 -9.618 -10.347 -7.009 1.00 0.00 C ATOM 1829 O LYS A 116 -9.053 -10.516 -8.089 1.00 0.00 O ATOM 1830 CB LYS A 116 -10.896 -12.425 -6.467 1.00 0.00 C ATOM 1831 CG LYS A 116 -11.150 -13.582 -5.514 1.00 0.00 C ATOM 1832 CD LYS A 116 -12.637 -13.846 -5.341 1.00 0.00 C ATOM 1833 CE LYS A 116 -12.897 -15.249 -4.814 1.00 0.00 C ATOM 1834 NZ LYS A 116 -14.112 -15.303 -3.954 1.00 0.00 N ATOM 0 H LYS A 116 -10.852 -11.403 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 116 -8.822 -12.054 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.811 -11.841 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.662 -12.823 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -10.662 -14.480 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -10.704 -13.361 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.060 -13.114 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.144 -13.716 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.015 -15.936 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.033 -15.588 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.254 -16.276 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.990 -14.667 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.941 -15.004 -4.506 1.00 0.00 H new ATOM 1848 N ALA A 117 -10.137 -9.176 -6.648 1.00 0.00 N ATOM 1849 CA ALA A 117 -10.058 -8.016 -7.529 1.00 0.00 C ATOM 1850 C ALA A 117 -9.791 -6.730 -6.754 1.00 0.00 C ATOM 1851 O ALA A 117 -10.530 -6.381 -5.833 1.00 0.00 O ATOM 1852 CB ALA A 117 -11.339 -7.887 -8.339 1.00 0.00 C ATOM 0 H ALA A 117 -10.612 -9.007 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 117 -9.217 -8.171 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.270 -7.018 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -11.481 -8.784 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -12.186 -7.766 -7.664 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.737 -6.021 -7.148 1.00 0.00 N ATOM 1859 CA VAL A 118 -8.377 -4.762 -6.506 1.00 0.00 C ATOM 1860 C VAL A 118 -8.891 -3.585 -7.327 1.00 0.00 C ATOM 1861 O VAL A 118 -8.366 -3.286 -8.400 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.848 -4.637 -6.346 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.157 -4.743 -7.699 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -6.482 -3.332 -5.651 1.00 0.00 C ATOM 0 H VAL A 118 -8.117 -6.298 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.837 -4.751 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.501 -5.460 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.079 -4.652 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.387 -5.708 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.510 -3.944 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.399 -3.265 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.843 -2.491 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.942 -3.304 -4.663 1.00 0.00 H new ATOM 1874 N THR A 119 -9.918 -2.921 -6.814 1.00 0.00 N ATOM 1875 CA THR A 119 -10.506 -1.777 -7.494 1.00 0.00 C ATOM 1876 C THR A 119 -10.332 -0.506 -6.672 1.00 0.00 C ATOM 1877 O THR A 119 -10.658 -0.479 -5.489 1.00 0.00 O ATOM 1878 CB THR A 119 -11.991 -2.029 -7.763 1.00 0.00 C ATOM 1879 OG1 THR A 119 -12.165 -3.175 -8.577 1.00 0.00 O ATOM 1880 CG2 THR A 119 -12.684 -0.871 -8.450 1.00 0.00 C ATOM 0 H THR A 119 -10.362 -3.157 -5.926 1.00 0.00 H new ATOM 0 HA THR A 119 -9.989 -1.643 -8.444 1.00 0.00 H new ATOM 0 HB THR A 119 -12.441 -2.168 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.121 -3.321 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.734 -1.118 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 119 -12.612 0.019 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.206 -0.679 -9.411 1.00 0.00 H new ATOM 1888 N PHE A 120 -9.833 0.548 -7.302 1.00 0.00 N ATOM 1889 CA PHE A 120 -9.644 1.819 -6.611 1.00 0.00 C ATOM 1890 C PHE A 120 -11.002 2.441 -6.299 1.00 0.00 C ATOM 1891 O PHE A 120 -11.393 3.440 -6.900 1.00 0.00 O ATOM 1892 CB PHE A 120 -8.796 2.777 -7.461 1.00 0.00 C ATOM 1893 CG PHE A 120 -9.388 3.103 -8.807 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -9.258 2.224 -9.872 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -10.070 4.294 -9.008 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -9.798 2.526 -11.108 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -10.611 4.600 -10.242 1.00 0.00 C ATOM 1898 CZ PHE A 120 -10.475 3.715 -11.293 1.00 0.00 C ATOM 0 H PHE A 120 -9.553 0.551 -8.283 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.113 1.637 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.652 3.704 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.810 2.337 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -8.729 1.293 -9.734 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.179 4.991 -8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.690 1.832 -11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.140 5.531 -10.384 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.897 3.952 -12.258 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.736 1.827 -5.372 1.00 0.00 N ATOM 1909 CA HIS A 121 -13.062 2.316 -5.019 1.00 0.00 C ATOM 1910 C HIS A 121 -13.015 3.752 -4.504 1.00 0.00 C ATOM 1911 O HIS A 121 -13.840 4.580 -4.889 1.00 0.00 O ATOM 1912 CB HIS A 121 -13.714 1.410 -3.978 1.00 0.00 C ATOM 1913 CG HIS A 121 -15.125 1.039 -4.311 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -15.570 0.854 -5.604 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -16.197 0.818 -3.513 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -16.852 0.537 -5.587 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -17.256 0.508 -4.331 1.00 0.00 N ATOM 0 H HIS A 121 -11.436 0.998 -4.858 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.663 2.302 -5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -13.122 0.501 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -13.697 1.911 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -16.216 0.875 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -17.465 0.336 -6.453 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -18.202 0.290 -4.018 1.00 0.00 H new ATOM 1926 N MET A 122 -12.046 4.048 -3.645 1.00 0.00 N ATOM 1927 CA MET A 122 -11.905 5.390 -3.103 1.00 0.00 C ATOM 1928 C MET A 122 -10.487 5.904 -3.315 1.00 0.00 C ATOM 1929 O MET A 122 -10.274 6.877 -4.039 1.00 0.00 O ATOM 1930 CB MET A 122 -12.258 5.406 -1.615 1.00 0.00 C ATOM 1931 CG MET A 122 -13.713 5.756 -1.348 1.00 0.00 C ATOM 1932 SD MET A 122 -14.688 4.332 -0.821 1.00 0.00 S ATOM 1933 CE MET A 122 -16.041 4.396 -1.992 1.00 0.00 C ATOM 0 H MET A 122 -11.351 3.380 -3.312 1.00 0.00 H new ATOM 0 HA MET A 122 -12.595 6.048 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.042 4.427 -1.187 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.618 6.126 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 122 -13.761 6.528 -0.580 1.00 0.00 H new ATOM 0 HG3 MET A 122 -14.153 6.177 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.732 3.576 -1.795 1.00 0.00 H new ATOM 0 HE2 MET A 122 -16.566 5.346 -1.890 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.650 4.305 -3.005 1.00 0.00 H new ATOM 1943 N MET A 123 -9.520 5.243 -2.682 1.00 0.00 N ATOM 1944 CA MET A 123 -8.119 5.632 -2.803 1.00 0.00 C ATOM 1945 C MET A 123 -7.967 7.143 -2.673 1.00 0.00 C ATOM 1946 O MET A 123 -7.312 7.788 -3.491 1.00 0.00 O ATOM 1947 CB MET A 123 -7.549 5.158 -4.142 1.00 0.00 C ATOM 1948 CG MET A 123 -7.490 3.644 -4.275 1.00 0.00 C ATOM 1949 SD MET A 123 -5.818 3.031 -4.558 1.00 0.00 S ATOM 1950 CE MET A 123 -6.160 1.496 -5.417 1.00 0.00 C ATOM 0 H MET A 123 -9.682 4.436 -2.080 1.00 0.00 H new ATOM 0 HA MET A 123 -7.561 5.158 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 123 -8.158 5.562 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.545 5.565 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 123 -7.890 3.189 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 123 -8.131 3.331 -5.099 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.476 0.723 -5.066 1.00 0.00 H new ATOM 0 HE2 MET A 123 -7.187 1.189 -5.219 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.025 1.641 -6.489 1.00 0.00 H new ATOM 1960 N GLU A 124 -8.584 7.698 -1.637 1.00 0.00 N ATOM 1961 CA GLU A 124 -8.527 9.133 -1.397 1.00 0.00 C ATOM 1962 C GLU A 124 -8.098 9.419 0.032 1.00 0.00 C ATOM 1963 O GLU A 124 -8.423 8.666 0.951 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.887 9.776 -1.675 1.00 0.00 C ATOM 1965 CG GLU A 124 -11.057 9.002 -1.087 1.00 0.00 C ATOM 1966 CD GLU A 124 -12.383 9.707 -1.291 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -12.624 10.726 -0.611 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -13.181 9.239 -2.130 1.00 0.00 O ATOM 0 H GLU A 124 -9.129 7.176 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.790 9.563 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.891 10.788 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -10.025 9.864 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -11.101 8.014 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -10.890 8.852 -0.020 1.00 0.00 H new ATOM 1975 N ILE A 125 -7.363 10.508 0.219 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.892 10.879 1.545 1.00 0.00 C ATOM 1977 C ILE A 125 -7.579 12.142 2.048 1.00 0.00 C ATOM 1978 O ILE A 125 -7.364 13.233 1.522 1.00 0.00 O ATOM 1979 CB ILE A 125 -5.365 11.096 1.569 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.896 11.784 0.284 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -4.644 9.770 1.762 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -3.402 12.024 0.239 1.00 0.00 C ATOM 0 H ILE A 125 -7.082 11.145 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.143 10.047 2.203 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.123 11.746 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.184 11.173 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.413 12.738 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.567 9.940 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.954 9.322 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.894 9.097 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.140 12.514 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.110 12.660 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.878 11.071 0.309 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.389 11.984 3.088 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.095 13.115 3.688 1.00 0.00 C ATOM 1996 C LEU A 126 -8.527 13.403 5.072 1.00 0.00 C ATOM 1997 O LEU A 126 -8.014 12.501 5.733 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.603 12.849 3.772 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.014 11.432 4.188 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -10.784 10.445 3.051 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -10.266 10.999 5.441 1.00 0.00 C ATOM 0 H LEU A 126 -8.575 11.086 3.535 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.948 13.988 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.037 13.554 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.044 13.063 2.798 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.080 11.441 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.083 9.446 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.377 10.742 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.728 10.439 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.573 9.991 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.193 11.011 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.495 11.685 6.257 1.00 0.00 H new ATOM 2013 N ASP A 127 -8.596 14.658 5.509 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.055 15.018 6.815 1.00 0.00 C ATOM 2015 C ASP A 127 -9.150 15.379 7.817 1.00 0.00 C ATOM 2016 O ASP A 127 -9.925 16.312 7.608 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.080 16.188 6.675 1.00 0.00 C ATOM 2018 CG ASP A 127 -7.654 17.326 5.851 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -8.317 18.207 6.438 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -7.437 17.336 4.621 1.00 0.00 O ATOM 0 H ASP A 127 -9.013 15.430 4.988 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.532 14.142 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.816 16.558 7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.159 15.836 6.211 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.174 14.641 8.925 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.130 14.871 10.002 1.00 0.00 C ATOM 2027 C GLU A 128 -9.386 15.065 11.322 1.00 0.00 C ATOM 2028 O GLU A 128 -8.427 14.347 11.605 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.104 13.697 10.116 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.292 13.979 11.021 1.00 0.00 C ATOM 2031 CD GLU A 128 -13.525 13.190 10.627 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -13.371 12.109 10.022 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -14.647 13.654 10.925 1.00 0.00 O ATOM 0 H GLU A 128 -8.532 13.868 9.100 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.701 15.772 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.468 13.440 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.568 12.826 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.025 13.739 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.522 15.044 10.991 1.00 0.00 H new ATOM 2040 N ASP A 129 -9.822 16.024 12.135 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.170 16.270 13.421 1.00 0.00 C ATOM 2042 C ASP A 129 -7.702 16.631 13.232 1.00 0.00 C ATOM 2043 O ASP A 129 -6.895 16.490 14.152 1.00 0.00 O ATOM 2044 CB ASP A 129 -9.251 15.018 14.288 1.00 0.00 C ATOM 2045 CG ASP A 129 -10.674 14.526 14.468 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -11.484 15.258 15.075 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -10.977 13.408 14.000 1.00 0.00 O ATOM 0 H ASP A 129 -10.612 16.636 11.932 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.684 17.102 13.902 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.651 14.228 13.836 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.817 15.228 15.265 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.353 17.056 12.029 1.00 0.00 N ATOM 2053 CA GLY A 130 -5.973 17.383 11.733 1.00 0.00 C ATOM 2054 C GLY A 130 -5.196 16.144 11.327 1.00 0.00 C ATOM 2055 O GLY A 130 -4.001 16.209 11.035 1.00 0.00 O ATOM 0 H GLY A 130 -8.000 17.181 11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.934 18.120 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.508 17.838 12.607 1.00 0.00 H new ATOM 2059 N LEU A 131 -5.896 15.010 11.301 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.312 13.734 10.924 1.00 0.00 C ATOM 2061 C LEU A 131 -5.781 13.348 9.528 1.00 0.00 C ATOM 2062 O LEU A 131 -6.910 13.643 9.150 1.00 0.00 O ATOM 2063 CB LEU A 131 -5.713 12.649 11.930 1.00 0.00 C ATOM 2064 CG LEU A 131 -4.548 11.916 12.593 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -4.946 11.419 13.974 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.086 10.760 11.720 1.00 0.00 C ATOM 0 H LEU A 131 -6.886 14.956 11.542 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.226 13.827 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.325 13.105 12.708 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.340 11.917 11.420 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.719 12.615 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -4.103 10.900 14.431 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.231 12.266 14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -5.789 10.734 13.885 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.256 10.247 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.910 10.061 11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.761 11.142 10.752 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.921 12.693 8.766 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.277 12.282 7.412 1.00 0.00 C ATOM 2080 C ILE A 132 -5.661 10.819 7.387 1.00 0.00 C ATOM 2081 O ILE A 132 -5.078 10.008 8.095 1.00 0.00 O ATOM 2082 CB ILE A 132 -4.124 12.483 6.403 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.925 13.170 7.068 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -4.607 13.291 5.207 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -1.843 13.585 6.094 1.00 0.00 C ATOM 0 H ILE A 132 -3.978 12.435 9.056 1.00 0.00 H new ATOM 0 HA ILE A 132 -6.115 12.914 7.118 1.00 0.00 H new ATOM 0 HB ILE A 132 -3.799 11.502 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.275 14.051 7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.496 12.495 7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -3.786 13.426 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -5.423 12.761 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -4.959 14.266 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.028 14.064 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.465 12.705 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.256 14.286 5.368 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.636 10.477 6.562 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.058 9.097 6.460 1.00 0.00 C ATOM 2099 C LYS A 133 -7.191 8.672 5.002 1.00 0.00 C ATOM 2100 O LYS A 133 -7.728 9.406 4.174 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.392 8.897 7.183 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.243 8.443 8.627 1.00 0.00 C ATOM 2103 CD LYS A 133 -8.941 9.392 9.591 1.00 0.00 C ATOM 2104 CE LYS A 133 -7.942 10.234 10.368 1.00 0.00 C ATOM 2105 NZ LYS A 133 -8.275 10.292 11.819 1.00 0.00 N ATOM 0 H LYS A 133 -7.142 11.128 5.962 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.297 8.476 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -8.951 9.833 7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.983 8.160 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.658 7.441 8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.185 8.380 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -9.614 10.045 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -9.554 8.819 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -6.942 9.820 10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -7.923 11.244 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -7.397 10.298 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -8.817 11.158 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -8.844 9.461 12.078 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.707 7.475 4.709 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.771 6.917 3.360 1.00 0.00 C ATOM 2121 C ALA A 134 -7.747 5.742 3.308 1.00 0.00 C ATOM 2122 O ALA A 134 -7.794 4.930 4.232 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.386 6.479 2.911 1.00 0.00 C ATOM 0 H ALA A 134 -6.261 6.863 5.392 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.133 7.689 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.444 6.064 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.715 7.338 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.005 5.720 3.594 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.542 5.662 2.239 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.528 4.581 2.116 1.00 0.00 C ATOM 2131 C ARG A 135 -9.556 3.933 0.737 1.00 0.00 C ATOM 2132 O ARG A 135 -9.861 4.587 -0.259 1.00 0.00 O ATOM 2133 CB ARG A 135 -10.931 5.097 2.424 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.110 6.577 2.139 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.459 6.858 1.500 1.00 0.00 C ATOM 2136 NE ARG A 135 -13.268 7.767 2.310 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.600 7.758 2.340 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -15.286 6.885 1.614 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -15.249 8.626 3.105 1.00 0.00 N ATOM 0 H ARG A 135 -8.526 6.318 1.458 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.218 3.825 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.654 4.532 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.156 4.908 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.020 7.141 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.314 6.921 1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.309 7.290 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.997 5.920 1.360 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.782 8.452 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.794 6.212 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.306 6.886 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.728 9.298 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.269 8.621 3.130 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.290 2.628 0.696 1.00 0.00 N ATOM 2154 CA VAL A 136 -9.344 1.886 -0.558 1.00 0.00 C ATOM 2155 C VAL A 136 -10.183 0.609 -0.430 1.00 0.00 C ATOM 2156 O VAL A 136 -9.791 -0.325 0.267 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.934 1.492 -1.044 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -7.998 0.867 -2.433 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -7.006 2.700 -1.029 1.00 0.00 C ATOM 0 H VAL A 136 -9.037 2.069 1.511 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.810 2.554 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.529 0.747 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.993 0.596 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.622 -0.026 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -8.425 1.583 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.016 2.403 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -7.404 3.472 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.933 3.091 -0.014 1.00 0.00 H new ATOM 2169 N ILE A 137 -11.304 0.561 -1.150 1.00 0.00 N ATOM 2170 CA ILE A 137 -12.178 -0.606 -1.170 1.00 0.00 C ATOM 2171 C ILE A 137 -11.888 -1.451 -2.391 1.00 0.00 C ATOM 2172 O ILE A 137 -11.697 -0.942 -3.491 1.00 0.00 O ATOM 2173 CB ILE A 137 -13.672 -0.239 -1.145 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -13.894 0.994 -0.274 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -14.493 -1.413 -0.643 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -15.301 1.123 0.274 1.00 0.00 C ATOM 0 H ILE A 137 -11.629 1.331 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.967 -1.168 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 137 -13.998 -0.006 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -13.193 0.967 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -13.661 1.884 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -15.548 -1.140 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -14.347 -2.268 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -14.174 -1.675 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -15.374 2.025 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -16.009 1.184 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -15.534 0.253 0.888 1.00 0.00 H new ATOM 2188 N LEU A 138 -11.817 -2.743 -2.168 1.00 0.00 N ATOM 2189 CA LEU A 138 -11.502 -3.700 -3.219 1.00 0.00 C ATOM 2190 C LEU A 138 -12.585 -4.749 -3.357 1.00 0.00 C ATOM 2191 O LEU A 138 -13.310 -5.030 -2.415 1.00 0.00 O ATOM 2192 CB LEU A 138 -10.141 -4.339 -2.959 1.00 0.00 C ATOM 2193 CG LEU A 138 -9.013 -3.344 -2.663 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -7.665 -3.963 -2.991 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -9.207 -2.037 -3.440 1.00 0.00 C ATOM 0 H LEU A 138 -11.975 -3.167 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 138 -11.455 -3.163 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.232 -5.026 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.863 -4.935 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.042 -3.107 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.873 -3.245 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.518 -4.857 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.635 -4.231 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.391 -1.352 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.213 -2.247 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -10.155 -1.581 -3.155 1.00 0.00 H new ATOM 2207 N ASP A 139 -12.711 -5.294 -4.554 1.00 0.00 N ATOM 2208 CA ASP A 139 -13.751 -6.278 -4.839 1.00 0.00 C ATOM 2209 C ASP A 139 -13.361 -7.676 -4.371 1.00 0.00 C ATOM 2210 O ASP A 139 -12.200 -8.078 -4.450 1.00 0.00 O ATOM 2211 CB ASP A 139 -14.053 -6.298 -6.341 1.00 0.00 C ATOM 2212 CG ASP A 139 -15.457 -5.819 -6.657 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -16.395 -6.638 -6.578 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -15.615 -4.624 -6.983 1.00 0.00 O ATOM 0 H ASP A 139 -12.108 -5.075 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 139 -14.643 -5.982 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.332 -5.668 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.924 -7.311 -6.721 1.00 0.00 H new ATOM 2219 N LEU A 140 -14.372 -8.390 -3.862 1.00 0.00 N ATOM 2220 CA LEU A 140 -14.235 -9.749 -3.332 1.00 0.00 C ATOM 2221 C LEU A 140 -13.033 -10.485 -3.916 1.00 0.00 C ATOM 2222 O LEU A 140 -12.794 -10.355 -5.136 1.00 0.00 O ATOM 2223 CB LEU A 140 -15.514 -10.544 -3.611 1.00 0.00 C ATOM 2224 CG LEU A 140 -16.242 -11.050 -2.365 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -15.354 -12.002 -1.578 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -16.680 -9.882 -1.494 1.00 0.00 C ATOM 2227 OXT LEU A 140 -12.343 -11.190 -3.151 1.00 0.00 O ATOM 0 H LEU A 140 -15.325 -8.031 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.072 -9.663 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -16.197 -9.916 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -15.264 -11.398 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 140 -17.131 -11.595 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -15.889 -12.352 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -15.090 -12.854 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -14.446 -11.483 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -17.196 -10.260 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -15.805 -9.310 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -17.353 -9.238 -2.060 1.00 0.00 H new TER 2239 LEU A 140