USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 71 ASN :FLIP amide:sc= -0.701 F(o=-1.1,f=0.097) USER MOD Set 1.2: A 73 THR OG1 : rot 93:sc= 0.798 USER MOD Set 2.1: A 63 MET CE :methyl 141:sc= -2.22 (180deg=-8.46!) USER MOD Set 2.2: A 108 MET CE :methyl 172:sc= -0.414 (180deg=-0.607) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 92:sc= 0.00679 USER MOD Single : A 7 ASN : amide:sc= 1.18 K(o=1.2,f=-10!) USER MOD Single : A 11 MET CE :methyl 149:sc= -2.06 (180deg=-5.3!) USER MOD Single : A 17 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -119:sc= -1.36 (180deg=-1.61) USER MOD Single : A 67 THR OG1 : rot 104:sc= 0.719 USER MOD Single : A 69 SER OG : rot -134:sc= 0.0845 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.99 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 87 SER OG : rot 72:sc= 0.0549 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.7!) USER MOD Single : A 102 SER OG : rot -142:sc= 1.07 USER MOD Single : A 113 SER OG : rot 180:sc= 0.00238 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -105:sc= 1.16 (180deg=-0.667) USER MOD Single : A 124 SER OG : rot -33:sc= 0.468 USER MOD Single : A 125 GLN :FLIP amide:sc= -3.21! C(o=-6.7!,f=-3.2!) USER MOD Single : A 128 CYS SG : rot -11:sc= 0.947 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 137 MET CE :methyl 178:sc= 0 (180deg=-0.00474) USER MOD Single : A 138 TYR OH : rot 77:sc= 0.404 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.551 -19.545 6.442 1.00 0.00 N ATOM 2 CA GLY A 1 7.006 -18.280 5.898 1.00 0.00 C ATOM 3 C GLY A 1 7.218 -17.107 6.837 1.00 0.00 C ATOM 4 O GLY A 1 8.019 -16.217 6.549 1.00 0.00 O ATOM 0 H1 GLY A 1 7.382 -20.316 5.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.574 -19.442 6.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.081 -19.766 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.480 -18.065 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.940 -18.400 5.706 1.00 0.00 H new ATOM 10 N ASP A 2 6.492 -17.110 7.961 1.00 0.00 N ATOM 11 CA ASP A 2 6.542 -16.011 8.938 1.00 0.00 C ATOM 12 C ASP A 2 6.140 -14.688 8.282 1.00 0.00 C ATOM 13 O ASP A 2 6.471 -13.604 8.771 1.00 0.00 O ATOM 14 CB ASP A 2 7.936 -15.899 9.579 1.00 0.00 C ATOM 15 CG ASP A 2 8.259 -17.080 10.485 1.00 0.00 C ATOM 16 OD1 ASP A 2 7.932 -17.021 11.691 1.00 0.00 O ATOM 17 OD2 ASP A 2 8.836 -18.077 9.997 1.00 0.00 O ATOM 0 H ASP A 2 5.858 -17.866 8.219 1.00 0.00 H new ATOM 0 HA ASP A 2 5.828 -16.234 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.689 -15.831 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.994 -14.976 10.156 1.00 0.00 H new ATOM 22 N ILE A 3 5.384 -14.799 7.190 1.00 0.00 N ATOM 23 CA ILE A 3 4.947 -13.642 6.418 1.00 0.00 C ATOM 24 C ILE A 3 4.000 -12.768 7.245 1.00 0.00 C ATOM 25 O ILE A 3 4.123 -11.541 7.258 1.00 0.00 O ATOM 26 CB ILE A 3 4.240 -14.081 5.108 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.175 -14.955 4.249 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.766 -12.866 4.312 1.00 0.00 C ATOM 29 CD1 ILE A 3 6.449 -14.256 3.809 1.00 0.00 C ATOM 0 H ILE A 3 5.059 -15.692 6.819 1.00 0.00 H new ATOM 0 HA ILE A 3 5.834 -13.063 6.160 1.00 0.00 H new ATOM 0 HB ILE A 3 3.367 -14.674 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.441 -15.848 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.632 -15.288 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.274 -13.199 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.063 -12.289 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.622 -12.242 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.051 -14.939 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.196 -13.378 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.017 -13.948 4.687 1.00 0.00 H new ATOM 41 N ARG A 4 3.071 -13.417 7.948 1.00 0.00 N ATOM 42 CA ARG A 4 2.092 -12.718 8.781 1.00 0.00 C ATOM 43 C ARG A 4 2.793 -11.924 9.876 1.00 0.00 C ATOM 44 O ARG A 4 2.519 -10.737 10.079 1.00 0.00 O ATOM 45 CB ARG A 4 1.132 -13.715 9.439 1.00 0.00 C ATOM 46 CG ARG A 4 0.265 -14.516 8.475 1.00 0.00 C ATOM 47 CD ARG A 4 -0.541 -15.582 9.219 1.00 0.00 C ATOM 48 NE ARG A 4 0.313 -16.661 9.736 1.00 0.00 N ATOM 49 CZ ARG A 4 0.812 -16.715 10.978 1.00 0.00 C ATOM 50 NH1 ARG A 4 0.536 -15.768 11.867 1.00 0.00 N ATOM 51 NH2 ARG A 4 1.587 -17.730 11.333 1.00 0.00 N ATOM 0 H ARG A 4 2.976 -14.433 7.957 1.00 0.00 H new ATOM 0 HA ARG A 4 1.532 -12.041 8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.715 -14.411 10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.480 -13.170 10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.413 -13.845 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.895 -14.990 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.078 -15.118 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.290 -16.003 8.548 1.00 0.00 H new ATOM 0 HE ARG A 4 0.543 -17.426 9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.064 -14.985 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.924 -15.824 12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.802 -18.467 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.969 -17.774 12.278 1.00 0.00 H new ATOM 65 N ASP A 5 3.689 -12.606 10.580 1.00 0.00 N ATOM 66 CA ASP A 5 4.419 -12.024 11.702 1.00 0.00 C ATOM 67 C ASP A 5 5.171 -10.780 11.255 1.00 0.00 C ATOM 68 O ASP A 5 5.064 -9.715 11.872 1.00 0.00 O ATOM 69 CB ASP A 5 5.408 -13.052 12.270 1.00 0.00 C ATOM 70 CG ASP A 5 4.732 -14.359 12.660 1.00 0.00 C ATOM 71 OD1 ASP A 5 4.343 -15.125 11.748 1.00 0.00 O ATOM 72 OD2 ASP A 5 4.577 -14.622 13.872 1.00 0.00 O ATOM 0 H ASP A 5 3.931 -13.579 10.390 1.00 0.00 H new ATOM 0 HA ASP A 5 3.705 -11.744 12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.182 -13.254 11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.905 -12.629 13.143 1.00 0.00 H new ATOM 77 N TYR A 6 5.911 -10.926 10.158 1.00 0.00 N ATOM 78 CA TYR A 6 6.674 -9.826 9.584 1.00 0.00 C ATOM 79 C TYR A 6 5.744 -8.673 9.225 1.00 0.00 C ATOM 80 O TYR A 6 6.010 -7.518 9.562 1.00 0.00 O ATOM 81 CB TYR A 6 7.434 -10.298 8.336 1.00 0.00 C ATOM 82 CG TYR A 6 8.336 -9.235 7.735 1.00 0.00 C ATOM 83 CD1 TYR A 6 7.859 -8.336 6.781 1.00 0.00 C ATOM 84 CD2 TYR A 6 9.664 -9.122 8.132 1.00 0.00 C ATOM 85 CE1 TYR A 6 8.678 -7.363 6.248 1.00 0.00 C ATOM 86 CE2 TYR A 6 10.486 -8.153 7.601 1.00 0.00 C ATOM 87 CZ TYR A 6 9.992 -7.275 6.661 1.00 0.00 C ATOM 88 OH TYR A 6 10.812 -6.304 6.139 1.00 0.00 O ATOM 0 H TYR A 6 5.997 -11.805 9.647 1.00 0.00 H new ATOM 0 HA TYR A 6 7.396 -9.480 10.323 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.036 -11.169 8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.715 -10.620 7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.832 -8.403 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.057 -9.806 8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.293 -6.673 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.515 -8.081 7.921 1.00 0.00 H new ATOM 0 HH TYR A 6 10.782 -5.509 6.711 1.00 0.00 H new ATOM 98 N ASN A 7 4.640 -9.014 8.562 1.00 0.00 N ATOM 99 CA ASN A 7 3.656 -8.023 8.135 1.00 0.00 C ATOM 100 C ASN A 7 3.221 -7.169 9.321 1.00 0.00 C ATOM 101 O ASN A 7 3.610 -6.006 9.438 1.00 0.00 O ATOM 102 CB ASN A 7 2.425 -8.699 7.495 1.00 0.00 C ATOM 103 CG ASN A 7 2.451 -8.671 5.974 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.970 -7.724 5.357 1.00 0.00 O ATOM 105 ND2 ASN A 7 2.996 -9.711 5.364 1.00 0.00 N ATOM 0 H ASN A 7 4.405 -9.974 8.308 1.00 0.00 H new ATOM 0 HA ASN A 7 4.124 -7.386 7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.370 -9.734 7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.521 -8.201 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.027 -9.746 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.385 -10.478 5.913 1.00 0.00 H new ATOM 112 N ASP A 8 2.453 -7.772 10.219 1.00 0.00 N ATOM 113 CA ASP A 8 1.902 -7.053 11.362 1.00 0.00 C ATOM 114 C ASP A 8 2.999 -6.340 12.146 1.00 0.00 C ATOM 115 O ASP A 8 3.019 -5.108 12.221 1.00 0.00 O ATOM 116 CB ASP A 8 1.140 -8.014 12.284 1.00 0.00 C ATOM 117 CG ASP A 8 0.650 -7.331 13.554 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.303 -6.525 13.475 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.216 -7.593 14.637 1.00 0.00 O ATOM 0 H ASP A 8 2.197 -8.758 10.179 1.00 0.00 H new ATOM 0 HA ASP A 8 1.210 -6.302 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.288 -8.431 11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.788 -8.849 12.550 1.00 0.00 H new ATOM 124 N ALA A 9 3.932 -7.118 12.685 1.00 0.00 N ATOM 125 CA ALA A 9 4.947 -6.584 13.581 1.00 0.00 C ATOM 126 C ALA A 9 5.848 -5.574 12.874 1.00 0.00 C ATOM 127 O ALA A 9 5.851 -4.388 13.217 1.00 0.00 O ATOM 128 CB ALA A 9 5.776 -7.715 14.178 1.00 0.00 C ATOM 0 H ALA A 9 4.005 -8.121 12.516 1.00 0.00 H new ATOM 0 HA ALA A 9 4.435 -6.059 14.387 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.531 -7.300 14.846 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.125 -8.386 14.739 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.266 -8.269 13.377 1.00 0.00 H new ATOM 134 N ASP A 10 6.586 -6.033 11.865 1.00 0.00 N ATOM 135 CA ASP A 10 7.628 -5.208 11.257 1.00 0.00 C ATOM 136 C ASP A 10 7.023 -4.001 10.562 1.00 0.00 C ATOM 137 O ASP A 10 7.517 -2.882 10.712 1.00 0.00 O ATOM 138 CB ASP A 10 8.470 -6.012 10.257 1.00 0.00 C ATOM 139 CG ASP A 10 9.758 -5.291 9.873 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.695 -5.253 10.704 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.850 -4.769 8.744 1.00 0.00 O ATOM 0 H ASP A 10 6.484 -6.961 11.455 1.00 0.00 H new ATOM 0 HA ASP A 10 8.281 -4.868 12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.714 -6.982 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.881 -6.202 9.360 1.00 0.00 H new ATOM 146 N MET A 11 5.931 -4.213 9.826 1.00 0.00 N ATOM 147 CA MET A 11 5.357 -3.139 9.029 1.00 0.00 C ATOM 148 C MET A 11 4.662 -2.112 9.914 1.00 0.00 C ATOM 149 O MET A 11 4.660 -0.929 9.597 1.00 0.00 O ATOM 150 CB MET A 11 4.405 -3.672 7.959 1.00 0.00 C ATOM 151 CG MET A 11 5.026 -4.747 7.076 1.00 0.00 C ATOM 152 SD MET A 11 4.176 -4.917 5.500 1.00 0.00 S ATOM 153 CE MET A 11 4.665 -3.378 4.732 1.00 0.00 C ATOM 0 H MET A 11 5.437 -5.103 9.768 1.00 0.00 H new ATOM 0 HA MET A 11 6.180 -2.643 8.514 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.517 -4.079 8.443 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.075 -2.844 7.332 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.073 -4.505 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.005 -5.702 7.602 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.728 -3.514 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.927 -2.608 4.958 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.638 -3.072 5.117 1.00 0.00 H new ATOM 163 N ALA A 12 4.082 -2.548 11.034 1.00 0.00 N ATOM 164 CA ALA A 12 3.547 -1.594 12.002 1.00 0.00 C ATOM 165 C ALA A 12 4.686 -0.734 12.541 1.00 0.00 C ATOM 166 O ALA A 12 4.597 0.495 12.591 1.00 0.00 O ATOM 167 CB ALA A 12 2.832 -2.311 13.142 1.00 0.00 C ATOM 0 H ALA A 12 3.973 -3.530 11.288 1.00 0.00 H new ATOM 0 HA ALA A 12 2.815 -0.958 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.444 -1.576 13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.007 -2.900 12.741 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.533 -2.970 13.654 1.00 0.00 H new ATOM 173 N ARG A 13 5.778 -1.406 12.899 1.00 0.00 N ATOM 174 CA ARG A 13 6.966 -0.740 13.425 1.00 0.00 C ATOM 175 C ARG A 13 7.661 0.080 12.333 1.00 0.00 C ATOM 176 O ARG A 13 8.466 0.965 12.627 1.00 0.00 O ATOM 177 CB ARG A 13 7.927 -1.783 14.012 1.00 0.00 C ATOM 178 CG ARG A 13 7.302 -2.623 15.123 1.00 0.00 C ATOM 179 CD ARG A 13 8.197 -3.784 15.540 1.00 0.00 C ATOM 180 NE ARG A 13 7.494 -4.725 16.415 1.00 0.00 N ATOM 181 CZ ARG A 13 8.022 -5.852 16.890 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.276 -6.190 16.600 1.00 0.00 N ATOM 183 NH2 ARG A 13 7.283 -6.646 17.653 1.00 0.00 N ATOM 0 H ARG A 13 5.864 -2.420 12.833 1.00 0.00 H new ATOM 0 HA ARG A 13 6.662 -0.053 14.215 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.267 -2.443 13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.809 -1.275 14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.105 -1.990 15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.341 -3.011 14.786 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.550 -4.308 14.652 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.077 -3.398 16.054 1.00 0.00 H new ATOM 0 HE ARG A 13 6.534 -4.502 16.679 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.844 -5.584 16.008 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.669 -7.055 16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.320 -6.392 17.871 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.678 -7.511 18.022 1.00 0.00 H new ATOM 197 N LEU A 14 7.354 -0.232 11.076 1.00 0.00 N ATOM 198 CA LEU A 14 7.865 0.528 9.935 1.00 0.00 C ATOM 199 C LEU A 14 7.053 1.812 9.750 1.00 0.00 C ATOM 200 O LEU A 14 7.606 2.913 9.711 1.00 0.00 O ATOM 201 CB LEU A 14 7.800 -0.331 8.658 1.00 0.00 C ATOM 202 CG LEU A 14 8.220 0.368 7.352 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.685 0.797 7.404 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.962 -0.543 6.150 1.00 0.00 C ATOM 0 H LEU A 14 6.749 -1.012 10.819 1.00 0.00 H new ATOM 0 HA LEU A 14 8.904 0.796 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.435 -1.205 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.779 -0.695 8.540 1.00 0.00 H new ATOM 0 HG LEU A 14 7.614 1.267 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.954 1.288 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.832 1.490 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.316 -0.080 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.265 -0.033 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.537 -1.462 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.900 -0.783 6.097 1.00 0.00 H new ATOM 216 N LEU A 15 5.730 1.662 9.670 1.00 0.00 N ATOM 217 CA LEU A 15 4.829 2.802 9.489 1.00 0.00 C ATOM 218 C LEU A 15 4.746 3.635 10.766 1.00 0.00 C ATOM 219 O LEU A 15 4.173 4.728 10.768 1.00 0.00 O ATOM 220 CB LEU A 15 3.430 2.339 9.040 1.00 0.00 C ATOM 221 CG LEU A 15 3.305 1.955 7.550 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.784 3.096 6.657 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.069 0.671 7.233 1.00 0.00 C ATOM 0 H LEU A 15 5.257 0.760 9.728 1.00 0.00 H new ATOM 0 HA LEU A 15 5.239 3.432 8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.139 1.480 9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.717 3.135 9.253 1.00 0.00 H new ATOM 0 HG LEU A 15 2.250 1.771 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.687 2.805 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.179 3.983 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.828 3.317 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.957 0.433 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.125 0.809 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.670 -0.147 7.833 1.00 0.00 H new ATOM 235 N GLU A 16 5.318 3.104 11.845 1.00 0.00 N ATOM 236 CA GLU A 16 5.538 3.865 13.072 1.00 0.00 C ATOM 237 C GLU A 16 6.187 5.213 12.720 1.00 0.00 C ATOM 238 O GLU A 16 5.829 6.271 13.265 1.00 0.00 O ATOM 239 CB GLU A 16 6.464 3.057 13.998 1.00 0.00 C ATOM 240 CG GLU A 16 6.560 3.570 15.432 1.00 0.00 C ATOM 241 CD GLU A 16 5.341 3.224 16.274 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.918 2.047 16.267 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.829 4.114 16.986 1.00 0.00 O ATOM 0 H GLU A 16 5.641 2.138 11.893 1.00 0.00 H new ATOM 0 HA GLU A 16 4.591 4.048 13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.116 2.024 14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.464 3.047 13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.450 3.151 15.902 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.688 4.652 15.416 1.00 0.00 H new ATOM 250 N GLN A 17 7.126 5.154 11.771 1.00 0.00 N ATOM 251 CA GLN A 17 7.802 6.342 11.263 1.00 0.00 C ATOM 252 C GLN A 17 6.797 7.292 10.617 1.00 0.00 C ATOM 253 O GLN A 17 6.763 8.471 10.943 1.00 0.00 O ATOM 254 CB GLN A 17 8.887 5.948 10.248 1.00 0.00 C ATOM 255 CG GLN A 17 9.524 7.137 9.533 1.00 0.00 C ATOM 256 CD GLN A 17 10.171 8.140 10.480 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.692 7.780 11.539 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.117 9.412 10.115 1.00 0.00 N ATOM 0 H GLN A 17 7.435 4.284 11.338 1.00 0.00 H new ATOM 0 HA GLN A 17 8.276 6.853 12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.666 5.386 10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.451 5.280 9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.277 6.770 8.835 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.763 7.646 8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.678 9.671 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.515 10.133 10.717 1.00 0.00 H new ATOM 267 N TRP A 18 5.963 6.764 9.725 1.00 0.00 N ATOM 268 CA TRP A 18 4.988 7.583 9.005 1.00 0.00 C ATOM 269 C TRP A 18 4.024 8.279 9.965 1.00 0.00 C ATOM 270 O TRP A 18 3.603 9.417 9.718 1.00 0.00 O ATOM 271 CB TRP A 18 4.235 6.735 7.970 1.00 0.00 C ATOM 272 CG TRP A 18 4.966 6.655 6.664 1.00 0.00 C ATOM 273 CD1 TRP A 18 6.091 5.926 6.382 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.631 7.356 5.464 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.471 6.142 5.080 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.591 7.013 4.501 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.611 8.247 5.110 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.567 7.524 3.211 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.587 8.751 3.824 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.562 8.390 2.890 1.00 0.00 C ATOM 0 H TRP A 18 5.942 5.773 9.483 1.00 0.00 H new ATOM 0 HA TRP A 18 5.530 8.365 8.473 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.088 5.730 8.364 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.245 7.161 7.805 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.602 5.279 7.079 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.278 5.721 4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.858 8.535 5.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.318 7.246 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.802 9.435 3.536 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.519 8.805 1.894 1.00 0.00 H new ATOM 291 N GLU A 19 3.679 7.602 11.060 1.00 0.00 N ATOM 292 CA GLU A 19 2.901 8.235 12.117 1.00 0.00 C ATOM 293 C GLU A 19 3.690 9.414 12.672 1.00 0.00 C ATOM 294 O GLU A 19 3.160 10.516 12.837 1.00 0.00 O ATOM 295 CB GLU A 19 2.573 7.245 13.244 1.00 0.00 C ATOM 296 CG GLU A 19 1.712 6.068 12.809 1.00 0.00 C ATOM 297 CD GLU A 19 1.251 5.228 13.991 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.181 5.542 14.562 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.960 4.274 14.368 1.00 0.00 O ATOM 0 H GLU A 19 3.924 6.627 11.235 1.00 0.00 H new ATOM 0 HA GLU A 19 1.956 8.579 11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.505 6.864 13.661 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.061 7.779 14.044 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.842 6.437 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.277 5.442 12.118 1.00 0.00 H new ATOM 306 N LYS A 20 4.977 9.168 12.931 1.00 0.00 N ATOM 307 CA LYS A 20 5.882 10.202 13.432 1.00 0.00 C ATOM 308 C LYS A 20 5.961 11.381 12.457 1.00 0.00 C ATOM 309 O LYS A 20 5.906 12.535 12.875 1.00 0.00 O ATOM 310 CB LYS A 20 7.284 9.614 13.673 1.00 0.00 C ATOM 311 CG LYS A 20 8.308 10.627 14.179 1.00 0.00 C ATOM 312 CD LYS A 20 9.683 9.995 14.381 1.00 0.00 C ATOM 313 CE LYS A 20 10.701 11.013 14.876 1.00 0.00 C ATOM 314 NZ LYS A 20 12.043 10.406 15.069 1.00 0.00 N ATOM 0 H LYS A 20 5.416 8.257 12.801 1.00 0.00 H new ATOM 0 HA LYS A 20 5.486 10.570 14.379 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.206 8.801 14.395 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.649 9.179 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.387 11.449 13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.962 11.053 15.121 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.607 9.178 15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.027 9.563 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.773 11.832 14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.358 11.441 15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.707 11.132 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.980 9.641 15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.383 10.020 14.165 1.00 0.00 H new ATOM 328 N ASP A 21 6.077 11.080 11.162 1.00 0.00 N ATOM 329 CA ASP A 21 6.191 12.112 10.128 1.00 0.00 C ATOM 330 C ASP A 21 4.974 13.026 10.146 1.00 0.00 C ATOM 331 O ASP A 21 5.104 14.246 10.275 1.00 0.00 O ATOM 332 CB ASP A 21 6.343 11.482 8.734 1.00 0.00 C ATOM 333 CG ASP A 21 7.683 10.790 8.536 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.727 11.476 8.605 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.702 9.563 8.307 1.00 0.00 O ATOM 0 H ASP A 21 6.095 10.126 10.803 1.00 0.00 H new ATOM 0 HA ASP A 21 7.083 12.700 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.541 10.760 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.225 12.257 7.977 1.00 0.00 H new ATOM 340 N ASP A 22 3.789 12.428 10.033 1.00 0.00 N ATOM 341 CA ASP A 22 2.542 13.195 10.020 1.00 0.00 C ATOM 342 C ASP A 22 2.388 14.010 11.307 1.00 0.00 C ATOM 343 O ASP A 22 1.919 15.153 11.276 1.00 0.00 O ATOM 344 CB ASP A 22 1.338 12.265 9.811 1.00 0.00 C ATOM 345 CG ASP A 22 0.003 12.958 10.057 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.453 13.713 9.171 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.594 12.745 11.134 1.00 0.00 O ATOM 0 H ASP A 22 3.665 11.419 9.949 1.00 0.00 H new ATOM 0 HA ASP A 22 2.580 13.894 9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.358 11.877 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.426 11.409 10.480 1.00 0.00 H new ATOM 352 N ASP A 23 2.805 13.429 12.435 1.00 0.00 N ATOM 353 CA ASP A 23 2.785 14.141 13.716 1.00 0.00 C ATOM 354 C ASP A 23 3.679 15.378 13.657 1.00 0.00 C ATOM 355 O ASP A 23 3.247 16.479 14.004 1.00 0.00 O ATOM 356 CB ASP A 23 3.223 13.229 14.879 1.00 0.00 C ATOM 357 CG ASP A 23 2.081 12.403 15.459 1.00 0.00 C ATOM 358 OD1 ASP A 23 1.101 13.005 15.953 1.00 0.00 O ATOM 359 OD2 ASP A 23 2.161 11.156 15.445 1.00 0.00 O ATOM 0 H ASP A 23 3.158 12.474 12.488 1.00 0.00 H new ATOM 0 HA ASP A 23 1.757 14.452 13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.007 12.557 14.530 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.657 13.842 15.669 1.00 0.00 H new ATOM 364 N ILE A 24 4.919 15.196 13.204 1.00 0.00 N ATOM 365 CA ILE A 24 5.871 16.304 13.090 1.00 0.00 C ATOM 366 C ILE A 24 5.312 17.389 12.171 1.00 0.00 C ATOM 367 O ILE A 24 5.452 18.586 12.438 1.00 0.00 O ATOM 368 CB ILE A 24 7.246 15.824 12.553 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.876 14.804 13.519 1.00 0.00 C ATOM 370 CG2 ILE A 24 8.187 17.009 12.330 1.00 0.00 C ATOM 371 CD1 ILE A 24 9.196 14.231 13.037 1.00 0.00 C ATOM 0 H ILE A 24 5.289 14.292 12.910 1.00 0.00 H new ATOM 0 HA ILE A 24 6.020 16.712 14.090 1.00 0.00 H new ATOM 0 HB ILE A 24 7.085 15.335 11.592 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.031 15.283 14.486 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.173 13.986 13.677 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.144 16.648 11.954 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.746 17.692 11.604 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.342 17.533 13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.575 13.521 13.772 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.046 13.722 12.085 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.917 15.038 12.907 1.00 0.00 H new ATOM 383 N GLU A 25 4.662 16.956 11.100 1.00 0.00 N ATOM 384 CA GLU A 25 4.024 17.866 10.158 1.00 0.00 C ATOM 385 C GLU A 25 2.897 18.643 10.828 1.00 0.00 C ATOM 386 O GLU A 25 2.653 19.808 10.503 1.00 0.00 O ATOM 387 CB GLU A 25 3.476 17.089 8.959 1.00 0.00 C ATOM 388 CG GLU A 25 4.555 16.495 8.066 1.00 0.00 C ATOM 389 CD GLU A 25 5.489 17.553 7.500 1.00 0.00 C ATOM 390 OE1 GLU A 25 5.001 18.631 7.088 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.713 17.322 7.470 1.00 0.00 O ATOM 0 H GLU A 25 4.562 15.970 10.860 1.00 0.00 H new ATOM 0 HA GLU A 25 4.776 18.576 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.835 16.286 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.850 17.753 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.136 15.770 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.085 15.953 7.245 1.00 0.00 H new ATOM 398 N GLU A 26 2.202 17.987 11.748 1.00 0.00 N ATOM 399 CA GLU A 26 1.127 18.621 12.508 1.00 0.00 C ATOM 400 C GLU A 26 1.700 19.499 13.631 1.00 0.00 C ATOM 401 O GLU A 26 0.957 20.170 14.355 1.00 0.00 O ATOM 402 CB GLU A 26 0.179 17.548 13.069 1.00 0.00 C ATOM 403 CG GLU A 26 -1.085 18.098 13.731 1.00 0.00 C ATOM 404 CD GLU A 26 -1.871 19.039 12.825 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.530 18.557 11.881 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.832 20.270 13.053 1.00 0.00 O ATOM 0 H GLU A 26 2.363 17.009 11.989 1.00 0.00 H new ATOM 0 HA GLU A 26 0.558 19.269 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.113 16.880 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.723 16.947 13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.726 17.267 14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.810 18.627 14.644 1.00 0.00 H new ATOM 413 N GLY A 27 3.026 19.523 13.747 1.00 0.00 N ATOM 414 CA GLY A 27 3.681 20.328 14.766 1.00 0.00 C ATOM 415 C GLY A 27 3.755 19.618 16.103 1.00 0.00 C ATOM 416 O GLY A 27 3.785 20.257 17.158 1.00 0.00 O ATOM 0 H GLY A 27 3.662 18.996 13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.689 20.579 14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.141 21.267 14.886 1.00 0.00 H new ATOM 420 N ASP A 28 3.775 18.291 16.061 1.00 0.00 N ATOM 421 CA ASP A 28 3.854 17.474 17.270 1.00 0.00 C ATOM 422 C ASP A 28 5.009 16.490 17.170 1.00 0.00 C ATOM 423 O ASP A 28 4.967 15.554 16.374 1.00 0.00 O ATOM 424 CB ASP A 28 2.541 16.712 17.509 1.00 0.00 C ATOM 425 CG ASP A 28 1.390 17.627 17.888 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.305 18.019 19.073 1.00 0.00 O ATOM 427 OD2 ASP A 28 0.573 17.968 17.008 1.00 0.00 O ATOM 0 H ASP A 28 3.737 17.752 15.196 1.00 0.00 H new ATOM 0 HA ASP A 28 4.024 18.142 18.114 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.278 16.159 16.607 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.691 15.978 18.301 1.00 0.00 H new ATOM 432 N LEU A 29 6.049 16.715 17.962 1.00 0.00 N ATOM 433 CA LEU A 29 7.176 15.789 18.026 1.00 0.00 C ATOM 434 C LEU A 29 6.803 14.610 18.926 1.00 0.00 C ATOM 435 O LEU A 29 6.741 14.755 20.150 1.00 0.00 O ATOM 436 CB LEU A 29 8.442 16.494 18.543 1.00 0.00 C ATOM 437 CG LEU A 29 9.088 17.508 17.576 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.463 16.838 16.255 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.174 18.708 17.333 1.00 0.00 C ATOM 0 H LEU A 29 6.137 17.530 18.569 1.00 0.00 H new ATOM 0 HA LEU A 29 7.396 15.423 17.023 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.194 17.011 19.470 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.183 15.734 18.791 1.00 0.00 H new ATOM 0 HG LEU A 29 10.001 17.875 18.046 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.917 17.573 15.590 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.173 16.033 16.444 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.567 16.429 15.787 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.660 19.402 16.648 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.234 18.367 16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.975 19.211 18.279 1.00 0.00 H new ATOM 451 N LEU A 62 -5.102 8.551 4.370 1.00 0.00 N ATOM 452 CA LEU A 62 -5.438 7.257 3.777 1.00 0.00 C ATOM 453 C LEU A 62 -4.208 6.541 3.210 1.00 0.00 C ATOM 454 O LEU A 62 -3.426 7.103 2.432 1.00 0.00 O ATOM 455 CB LEU A 62 -6.513 7.461 2.689 1.00 0.00 C ATOM 456 CG LEU A 62 -7.274 6.197 2.238 1.00 0.00 C ATOM 457 CD1 LEU A 62 -8.634 6.575 1.655 1.00 0.00 C ATOM 458 CD2 LEU A 62 -6.468 5.395 1.215 1.00 0.00 C ATOM 0 HA LEU A 62 -5.832 6.612 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.240 8.185 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.036 7.904 1.815 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.424 5.569 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.159 5.673 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.223 7.093 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.492 7.230 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.033 4.511 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.275 6.013 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.521 5.088 1.658 1.00 0.00 H new ATOM 470 N MET A 63 -4.045 5.290 3.621 1.00 0.00 N ATOM 471 CA MET A 63 -3.024 4.404 3.075 1.00 0.00 C ATOM 472 C MET A 63 -3.613 3.004 2.945 1.00 0.00 C ATOM 473 O MET A 63 -4.427 2.591 3.778 1.00 0.00 O ATOM 474 CB MET A 63 -1.776 4.376 3.972 1.00 0.00 C ATOM 475 CG MET A 63 -1.064 5.718 4.090 1.00 0.00 C ATOM 476 SD MET A 63 0.334 5.668 5.228 1.00 0.00 S ATOM 477 CE MET A 63 1.226 4.249 4.601 1.00 0.00 C ATOM 0 H MET A 63 -4.619 4.859 4.345 1.00 0.00 H new ATOM 0 HA MET A 63 -2.716 4.773 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.065 4.042 4.968 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.076 3.639 3.579 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.714 6.027 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.774 6.473 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.297 4.445 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.992 3.375 5.208 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.933 4.062 3.568 1.00 0.00 H new ATOM 487 N MET A 64 -3.222 2.284 1.903 1.00 0.00 N ATOM 488 CA MET A 64 -3.775 0.959 1.639 1.00 0.00 C ATOM 489 C MET A 64 -2.693 -0.114 1.684 1.00 0.00 C ATOM 490 O MET A 64 -1.701 -0.042 0.957 1.00 0.00 O ATOM 491 CB MET A 64 -4.482 0.921 0.275 1.00 0.00 C ATOM 492 CG MET A 64 -5.777 1.721 0.224 1.00 0.00 C ATOM 493 SD MET A 64 -6.627 1.556 -1.359 1.00 0.00 S ATOM 494 CE MET A 64 -8.120 2.495 -1.045 1.00 0.00 C ATOM 0 H MET A 64 -2.525 2.593 1.226 1.00 0.00 H new ATOM 0 HA MET A 64 -4.503 0.752 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.801 1.303 -0.486 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.698 -0.116 0.018 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.438 1.388 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.558 2.773 0.408 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.988 1.844 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.089 2.901 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.193 3.312 -1.762 1.00 0.00 H new ATOM 504 N PHE A 65 -2.891 -1.095 2.557 1.00 0.00 N ATOM 505 CA PHE A 65 -2.051 -2.282 2.605 1.00 0.00 C ATOM 506 C PHE A 65 -2.748 -3.414 1.854 1.00 0.00 C ATOM 507 O PHE A 65 -3.601 -4.104 2.414 1.00 0.00 O ATOM 508 CB PHE A 65 -1.805 -2.717 4.062 1.00 0.00 C ATOM 509 CG PHE A 65 -1.194 -1.655 4.943 1.00 0.00 C ATOM 510 CD1 PHE A 65 -1.978 -0.647 5.489 1.00 0.00 C ATOM 511 CD2 PHE A 65 0.163 -1.673 5.238 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.422 0.320 6.303 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.720 -0.708 6.055 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.072 0.290 6.587 1.00 0.00 C ATOM 0 H PHE A 65 -3.639 -1.088 3.251 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.091 -2.054 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.754 -3.030 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.151 -3.589 4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.036 -0.619 5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.789 -2.449 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.044 1.100 6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.776 -0.734 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.364 1.045 7.224 1.00 0.00 H new ATOM 524 N VAL A 66 -2.412 -3.597 0.586 1.00 0.00 N ATOM 525 CA VAL A 66 -3.033 -4.637 -0.225 1.00 0.00 C ATOM 526 C VAL A 66 -2.271 -5.953 -0.075 1.00 0.00 C ATOM 527 O VAL A 66 -1.060 -5.950 0.126 1.00 0.00 O ATOM 528 CB VAL A 66 -3.074 -4.230 -1.722 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.856 -5.251 -2.549 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.664 -2.829 -1.885 1.00 0.00 C ATOM 0 H VAL A 66 -1.713 -3.040 0.095 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.056 -4.767 0.128 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.050 -4.214 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.868 -4.940 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.379 -6.228 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.879 -5.314 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.684 -2.563 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.679 -2.813 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.051 -2.110 -1.341 1.00 0.00 H new ATOM 540 N THR A 67 -2.994 -7.065 -0.134 1.00 0.00 N ATOM 541 CA THR A 67 -2.385 -8.390 -0.114 1.00 0.00 C ATOM 542 C THR A 67 -2.863 -9.174 -1.338 1.00 0.00 C ATOM 543 O THR A 67 -4.041 -9.527 -1.451 1.00 0.00 O ATOM 544 CB THR A 67 -2.699 -9.152 1.201 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.112 -10.461 1.173 1.00 0.00 O ATOM 546 CG2 THR A 67 -4.203 -9.260 1.453 1.00 0.00 C ATOM 0 H THR A 67 -4.012 -7.075 -0.197 1.00 0.00 H new ATOM 0 HA THR A 67 -1.301 -8.280 -0.153 1.00 0.00 H new ATOM 0 HB THR A 67 -2.265 -8.578 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.314 -10.474 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.378 -9.800 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.632 -8.261 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.673 -9.796 0.628 1.00 0.00 H new ATOM 554 N VAL A 68 -1.947 -9.408 -2.273 1.00 0.00 N ATOM 555 CA VAL A 68 -2.315 -9.946 -3.582 1.00 0.00 C ATOM 556 C VAL A 68 -2.097 -11.451 -3.672 1.00 0.00 C ATOM 557 O VAL A 68 -3.038 -12.216 -3.891 1.00 0.00 O ATOM 558 CB VAL A 68 -1.502 -9.267 -4.711 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.029 -9.681 -6.085 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.515 -7.750 -4.547 1.00 0.00 C ATOM 0 H VAL A 68 -0.949 -9.235 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.378 -9.736 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.467 -9.602 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.442 -9.191 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.947 -10.762 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.074 -9.385 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.938 -7.292 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.543 -7.389 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.074 -7.484 -3.586 1.00 0.00 H new ATOM 570 N SER A 69 -0.854 -11.868 -3.500 1.00 0.00 N ATOM 571 CA SER A 69 -0.464 -13.244 -3.755 1.00 0.00 C ATOM 572 C SER A 69 -0.761 -14.147 -2.566 1.00 0.00 C ATOM 573 O SER A 69 -1.373 -15.209 -2.712 1.00 0.00 O ATOM 574 CB SER A 69 1.031 -13.293 -4.083 1.00 0.00 C ATOM 575 OG SER A 69 1.793 -12.732 -3.026 1.00 0.00 O ATOM 0 H SER A 69 -0.093 -11.268 -3.182 1.00 0.00 H new ATOM 0 HA SER A 69 -1.047 -13.610 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.338 -14.325 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.224 -12.748 -5.007 1.00 0.00 H new ATOM 0 HG SER A 69 2.470 -12.128 -3.396 1.00 0.00 H new ATOM 581 N GLY A 70 -0.323 -13.718 -1.389 1.00 0.00 N ATOM 582 CA GLY A 70 -0.316 -14.596 -0.234 1.00 0.00 C ATOM 583 C GLY A 70 0.717 -15.688 -0.420 1.00 0.00 C ATOM 584 O GLY A 70 0.655 -16.748 0.207 1.00 0.00 O ATOM 0 H GLY A 70 0.028 -12.777 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.094 -14.024 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.303 -15.037 -0.096 1.00 0.00 H new ATOM 588 N ASN A 71 1.662 -15.414 -1.316 1.00 0.00 N ATOM 589 CA ASN A 71 2.705 -16.358 -1.693 1.00 0.00 C ATOM 590 C ASN A 71 4.075 -15.689 -1.520 1.00 0.00 C ATOM 591 O ASN A 71 4.243 -14.523 -1.875 1.00 0.00 O ATOM 592 CB ASN A 71 2.477 -16.815 -3.146 1.00 0.00 C ATOM 593 CG ASN A 71 3.481 -17.852 -3.627 1.00 0.00 C ATOM 594 OD1 ASN A 71 4.519 -17.401 -4.305 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 3.306 -19.051 -3.410 1.00 0.00 N flip ATOM 0 H ASN A 71 1.724 -14.521 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 71 2.673 -17.240 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.472 -17.228 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.523 -15.946 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.490 -19.360 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.977 -19.736 -3.759 1.00 0.00 H new ATOM 602 N PRO A 72 5.063 -16.411 -0.955 1.00 0.00 N ATOM 603 CA PRO A 72 6.376 -15.842 -0.588 1.00 0.00 C ATOM 604 C PRO A 72 7.211 -15.334 -1.776 1.00 0.00 C ATOM 605 O PRO A 72 8.187 -14.604 -1.577 1.00 0.00 O ATOM 606 CB PRO A 72 7.087 -17.000 0.131 1.00 0.00 C ATOM 607 CG PRO A 72 6.418 -18.229 -0.383 1.00 0.00 C ATOM 608 CD PRO A 72 4.980 -17.847 -0.607 1.00 0.00 C ATOM 0 HA PRO A 72 6.247 -14.949 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.154 -17.008 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.986 -16.917 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.882 -18.569 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.499 -19.047 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.528 -18.430 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.376 -18.011 0.285 1.00 0.00 H new ATOM 616 N THR A 73 6.863 -15.722 -3.000 1.00 0.00 N ATOM 617 CA THR A 73 7.698 -15.442 -4.150 1.00 0.00 C ATOM 618 C THR A 73 7.585 -13.967 -4.576 1.00 0.00 C ATOM 619 O THR A 73 6.512 -13.474 -4.900 1.00 0.00 O ATOM 620 CB THR A 73 7.312 -16.396 -5.297 1.00 0.00 C ATOM 621 OG1 THR A 73 7.255 -17.740 -4.788 1.00 0.00 O ATOM 622 CG2 THR A 73 8.310 -16.335 -6.442 1.00 0.00 C ATOM 0 H THR A 73 6.006 -16.232 -3.215 1.00 0.00 H new ATOM 0 HA THR A 73 8.742 -15.611 -3.887 1.00 0.00 H new ATOM 0 HB THR A 73 6.341 -16.088 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.339 -17.945 -4.507 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.002 -17.022 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.347 -15.320 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.298 -16.619 -6.079 1.00 0.00 H new ATOM 630 N GLU A 74 8.718 -13.271 -4.550 1.00 0.00 N ATOM 631 CA GLU A 74 8.804 -11.847 -4.902 1.00 0.00 C ATOM 632 C GLU A 74 8.248 -11.579 -6.306 1.00 0.00 C ATOM 633 O GLU A 74 7.803 -10.474 -6.624 1.00 0.00 O ATOM 634 CB GLU A 74 10.280 -11.432 -4.838 1.00 0.00 C ATOM 635 CG GLU A 74 10.562 -9.959 -5.107 1.00 0.00 C ATOM 636 CD GLU A 74 12.056 -9.665 -5.110 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.667 -9.656 -4.019 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.633 -9.482 -6.206 1.00 0.00 O ATOM 0 H GLU A 74 9.614 -13.679 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 74 8.205 -11.267 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.667 -11.683 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.838 -12.028 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.133 -9.676 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.072 -9.350 -4.347 1.00 0.00 H new ATOM 645 N LYS A 75 8.256 -12.622 -7.117 1.00 0.00 N ATOM 646 CA LYS A 75 7.980 -12.526 -8.545 1.00 0.00 C ATOM 647 C LYS A 75 6.565 -12.019 -8.841 1.00 0.00 C ATOM 648 O LYS A 75 6.398 -10.949 -9.432 1.00 0.00 O ATOM 649 CB LYS A 75 8.215 -13.896 -9.209 1.00 0.00 C ATOM 650 CG LYS A 75 9.693 -14.293 -9.332 1.00 0.00 C ATOM 651 CD LYS A 75 10.441 -14.224 -7.997 1.00 0.00 C ATOM 652 CE LYS A 75 11.903 -14.635 -8.144 1.00 0.00 C ATOM 653 NZ LYS A 75 12.683 -14.403 -6.899 1.00 0.00 N ATOM 0 H LYS A 75 8.456 -13.571 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 75 8.666 -11.790 -8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.692 -14.660 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.770 -13.886 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.760 -15.306 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.182 -13.636 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.387 -13.209 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.952 -14.875 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.956 -15.690 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.355 -14.075 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.669 -14.697 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.656 -13.392 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.270 -14.957 -6.122 1.00 0.00 H new ATOM 667 N GLU A 76 5.548 -12.773 -8.426 1.00 0.00 N ATOM 668 CA GLU A 76 4.168 -12.458 -8.805 1.00 0.00 C ATOM 669 C GLU A 76 3.706 -11.134 -8.194 1.00 0.00 C ATOM 670 O GLU A 76 2.987 -10.360 -8.839 1.00 0.00 O ATOM 671 CB GLU A 76 3.202 -13.599 -8.426 1.00 0.00 C ATOM 672 CG GLU A 76 2.992 -13.810 -6.929 1.00 0.00 C ATOM 673 CD GLU A 76 4.104 -14.606 -6.270 1.00 0.00 C ATOM 674 OE1 GLU A 76 4.971 -15.148 -6.995 1.00 0.00 O ATOM 675 OE2 GLU A 76 4.101 -14.703 -5.029 1.00 0.00 O ATOM 0 H GLU A 76 5.649 -13.597 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 76 4.152 -12.351 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.234 -13.401 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.576 -14.527 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.912 -12.839 -6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.044 -14.325 -6.772 1.00 0.00 H new ATOM 682 N THR A 77 4.132 -10.859 -6.961 1.00 0.00 N ATOM 683 CA THR A 77 3.754 -9.620 -6.292 1.00 0.00 C ATOM 684 C THR A 77 4.412 -8.422 -6.981 1.00 0.00 C ATOM 685 O THR A 77 3.788 -7.369 -7.144 1.00 0.00 O ATOM 686 CB THR A 77 4.110 -9.640 -4.785 1.00 0.00 C ATOM 687 OG1 THR A 77 3.609 -8.457 -4.142 1.00 0.00 O ATOM 688 CG2 THR A 77 5.615 -9.743 -4.559 1.00 0.00 C ATOM 0 H THR A 77 4.733 -11.473 -6.412 1.00 0.00 H new ATOM 0 HA THR A 77 2.671 -9.526 -6.368 1.00 0.00 H new ATOM 0 HB THR A 77 3.641 -10.523 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.838 -8.480 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.822 -9.754 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.989 -10.662 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.111 -8.887 -5.016 1.00 0.00 H new ATOM 696 N GLU A 78 5.665 -8.589 -7.408 1.00 0.00 N ATOM 697 CA GLU A 78 6.355 -7.547 -8.158 1.00 0.00 C ATOM 698 C GLU A 78 5.606 -7.254 -9.453 1.00 0.00 C ATOM 699 O GLU A 78 5.361 -6.095 -9.790 1.00 0.00 O ATOM 700 CB GLU A 78 7.798 -7.963 -8.463 1.00 0.00 C ATOM 701 CG GLU A 78 8.567 -6.934 -9.283 1.00 0.00 C ATOM 702 CD GLU A 78 10.005 -7.343 -9.543 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.237 -8.179 -10.444 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.909 -6.833 -8.853 1.00 0.00 O ATOM 0 H GLU A 78 6.217 -9.432 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 78 6.381 -6.643 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.324 -8.135 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.788 -8.911 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.059 -6.783 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.555 -5.978 -8.760 1.00 0.00 H new ATOM 711 N GLU A 79 5.230 -8.318 -10.160 1.00 0.00 N ATOM 712 CA GLU A 79 4.504 -8.193 -11.421 1.00 0.00 C ATOM 713 C GLU A 79 3.221 -7.384 -11.240 1.00 0.00 C ATOM 714 O GLU A 79 3.006 -6.385 -11.928 1.00 0.00 O ATOM 715 CB GLU A 79 4.173 -9.579 -11.989 1.00 0.00 C ATOM 716 CG GLU A 79 5.398 -10.383 -12.407 1.00 0.00 C ATOM 717 CD GLU A 79 5.037 -11.752 -12.962 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.599 -11.829 -14.131 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.182 -12.756 -12.234 1.00 0.00 O ATOM 0 H GLU A 79 5.418 -9.280 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 79 5.147 -7.664 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.617 -10.144 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.517 -9.460 -12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.955 -9.825 -13.160 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.058 -10.506 -11.548 1.00 0.00 H new ATOM 726 N ILE A 80 2.382 -7.804 -10.294 1.00 0.00 N ATOM 727 CA ILE A 80 1.079 -7.171 -10.091 1.00 0.00 C ATOM 728 C ILE A 80 1.240 -5.702 -9.667 1.00 0.00 C ATOM 729 O ILE A 80 0.550 -4.810 -10.183 1.00 0.00 O ATOM 730 CB ILE A 80 0.219 -7.948 -9.052 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.244 -7.480 -9.099 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.784 -7.808 -7.639 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.932 -7.784 -10.413 1.00 0.00 C ATOM 0 H ILE A 80 2.580 -8.577 -9.658 1.00 0.00 H new ATOM 0 HA ILE A 80 0.553 -7.199 -11.046 1.00 0.00 H new ATOM 0 HB ILE A 80 0.254 -9.004 -9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.796 -7.957 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.280 -6.406 -8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.158 -8.363 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.799 -8.205 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.799 -6.756 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.961 -7.426 -10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.403 -7.284 -11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.928 -8.860 -10.585 1.00 0.00 H new ATOM 745 N THR A 81 2.178 -5.449 -8.759 1.00 0.00 N ATOM 746 CA THR A 81 2.449 -4.094 -8.292 1.00 0.00 C ATOM 747 C THR A 81 3.031 -3.249 -9.429 1.00 0.00 C ATOM 748 O THR A 81 2.804 -2.036 -9.503 1.00 0.00 O ATOM 749 CB THR A 81 3.416 -4.111 -7.085 1.00 0.00 C ATOM 750 OG1 THR A 81 2.882 -4.961 -6.060 1.00 0.00 O ATOM 751 CG2 THR A 81 3.628 -2.707 -6.519 1.00 0.00 C ATOM 0 H THR A 81 2.764 -6.166 -8.332 1.00 0.00 H new ATOM 0 HA THR A 81 1.508 -3.648 -7.968 1.00 0.00 H new ATOM 0 HB THR A 81 4.380 -4.489 -7.427 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.086 -5.896 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.313 -2.756 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.050 -2.064 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.672 -2.299 -6.190 1.00 0.00 H new ATOM 759 N SER A 82 3.756 -3.908 -10.329 1.00 0.00 N ATOM 760 CA SER A 82 4.328 -3.246 -11.496 1.00 0.00 C ATOM 761 C SER A 82 3.213 -2.872 -12.475 1.00 0.00 C ATOM 762 O SER A 82 3.284 -1.839 -13.149 1.00 0.00 O ATOM 763 CB SER A 82 5.368 -4.157 -12.170 1.00 0.00 C ATOM 764 OG SER A 82 6.162 -3.445 -13.107 1.00 0.00 O ATOM 0 H SER A 82 3.962 -4.905 -10.271 1.00 0.00 H new ATOM 0 HA SER A 82 4.834 -2.334 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.012 -4.599 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.859 -4.979 -12.674 1.00 0.00 H new ATOM 0 HG SER A 82 6.812 -4.054 -13.514 1.00 0.00 H new ATOM 770 N LEU A 83 2.175 -3.712 -12.539 1.00 0.00 N ATOM 771 CA LEU A 83 0.996 -3.417 -13.355 1.00 0.00 C ATOM 772 C LEU A 83 0.305 -2.167 -12.826 1.00 0.00 C ATOM 773 O LEU A 83 -0.066 -1.269 -13.588 1.00 0.00 O ATOM 774 CB LEU A 83 0.011 -4.602 -13.359 1.00 0.00 C ATOM 775 CG LEU A 83 0.571 -5.922 -13.918 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.483 -7.024 -13.862 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.081 -5.732 -15.348 1.00 0.00 C ATOM 0 H LEU A 83 2.128 -4.599 -12.037 1.00 0.00 H new ATOM 0 HA LEU A 83 1.323 -3.247 -14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.328 -4.774 -12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.866 -4.322 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 83 1.412 -6.225 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.065 -7.948 -14.262 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.789 -7.182 -12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.349 -6.730 -14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.472 -6.678 -15.723 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.262 -5.400 -15.985 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.873 -4.983 -15.355 1.00 0.00 H new ATOM 789 N TRP A 84 0.154 -2.109 -11.507 1.00 0.00 N ATOM 790 CA TRP A 84 -0.449 -0.949 -10.858 1.00 0.00 C ATOM 791 C TRP A 84 0.366 0.313 -11.129 1.00 0.00 C ATOM 792 O TRP A 84 -0.193 1.361 -11.446 1.00 0.00 O ATOM 793 CB TRP A 84 -0.600 -1.196 -9.356 1.00 0.00 C ATOM 794 CG TRP A 84 -1.554 -2.313 -9.049 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.505 -2.823 -9.886 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.658 -3.051 -7.831 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.190 -3.830 -9.262 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.691 -3.991 -8.000 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.980 -3.010 -6.613 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.060 -4.880 -6.998 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.347 -3.891 -5.618 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.379 -4.816 -5.816 1.00 0.00 C ATOM 0 H TRP A 84 0.440 -2.850 -10.867 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.443 -0.797 -11.279 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.376 -1.429 -8.930 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.949 -0.282 -8.874 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.690 -2.481 -10.894 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.950 -4.373 -9.672 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.182 -2.301 -6.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.856 -5.595 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.830 -3.867 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.642 -5.493 -5.017 1.00 0.00 H new ATOM 813 N GLN A 85 1.686 0.212 -11.011 1.00 0.00 N ATOM 814 CA GLN A 85 2.572 1.311 -11.393 1.00 0.00 C ATOM 815 C GLN A 85 2.348 1.677 -12.863 1.00 0.00 C ATOM 816 O GLN A 85 2.340 2.852 -13.235 1.00 0.00 O ATOM 817 CB GLN A 85 4.039 0.921 -11.168 1.00 0.00 C ATOM 818 CG GLN A 85 5.032 2.005 -11.579 1.00 0.00 C ATOM 819 CD GLN A 85 6.479 1.579 -11.398 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.031 1.846 -10.226 1.00 0.00 O flip ATOM 821 NE2 GLN A 85 7.093 1.013 -12.304 1.00 0.00 N flip ATOM 0 H GLN A 85 2.166 -0.615 -10.656 1.00 0.00 H new ATOM 0 HA GLN A 85 2.342 2.176 -10.770 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.186 0.687 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.254 0.012 -11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.864 2.268 -12.623 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.846 2.903 -10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.631 0.825 -13.194 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.064 0.732 -12.164 1.00 0.00 H new ATOM 830 N GLY A 86 2.137 0.646 -13.672 1.00 0.00 N ATOM 831 CA GLY A 86 1.939 0.824 -15.100 1.00 0.00 C ATOM 832 C GLY A 86 0.641 1.545 -15.428 1.00 0.00 C ATOM 833 O GLY A 86 0.558 2.260 -16.423 1.00 0.00 O ATOM 0 H GLY A 86 2.099 -0.324 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.777 1.388 -15.511 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.941 -0.151 -15.587 1.00 0.00 H new ATOM 837 N SER A 87 -0.376 1.350 -14.591 1.00 0.00 N ATOM 838 CA SER A 87 -1.686 1.959 -14.820 1.00 0.00 C ATOM 839 C SER A 87 -1.860 3.272 -14.040 1.00 0.00 C ATOM 840 O SER A 87 -2.055 4.330 -14.635 1.00 0.00 O ATOM 841 CB SER A 87 -2.788 0.963 -14.442 1.00 0.00 C ATOM 842 OG SER A 87 -2.656 -0.243 -15.180 1.00 0.00 O ATOM 0 H SER A 87 -0.319 0.776 -13.750 1.00 0.00 H new ATOM 0 HA SER A 87 -1.760 2.206 -15.879 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.739 0.748 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.765 1.406 -14.633 1.00 0.00 H new ATOM 0 HG SER A 87 -1.884 -0.747 -14.848 1.00 0.00 H new ATOM 848 N LEU A 88 -1.771 3.197 -12.711 1.00 0.00 N ATOM 849 CA LEU A 88 -2.073 4.344 -11.844 1.00 0.00 C ATOM 850 C LEU A 88 -1.198 5.560 -12.173 1.00 0.00 C ATOM 851 O LEU A 88 -1.706 6.675 -12.322 1.00 0.00 O ATOM 852 CB LEU A 88 -1.936 3.970 -10.353 1.00 0.00 C ATOM 853 CG LEU A 88 -3.078 3.102 -9.778 1.00 0.00 C ATOM 854 CD1 LEU A 88 -3.094 1.716 -10.408 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.971 2.995 -8.257 1.00 0.00 C ATOM 0 H LEU A 88 -1.492 2.354 -12.208 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.110 4.620 -12.038 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.994 3.439 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.873 4.889 -9.770 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.018 3.595 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.909 1.132 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.238 1.807 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.146 1.215 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.786 2.379 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.017 2.539 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.033 3.990 -7.817 1.00 0.00 H new ATOM 867 N PHE A 89 0.109 5.347 -12.297 1.00 0.00 N ATOM 868 CA PHE A 89 1.033 6.442 -12.606 1.00 0.00 C ATOM 869 C PHE A 89 0.839 6.930 -14.040 1.00 0.00 C ATOM 870 O PHE A 89 0.996 8.119 -14.328 1.00 0.00 O ATOM 871 CB PHE A 89 2.486 6.012 -12.360 1.00 0.00 C ATOM 872 CG PHE A 89 2.821 5.863 -10.896 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.453 4.722 -10.197 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.497 6.869 -10.220 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.755 4.590 -8.855 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.802 6.739 -8.880 1.00 0.00 C ATOM 877 CZ PHE A 89 3.429 5.599 -8.196 1.00 0.00 C ATOM 0 H PHE A 89 0.553 4.435 -12.190 1.00 0.00 H new ATOM 0 HA PHE A 89 0.811 7.274 -11.938 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.669 5.064 -12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.156 6.746 -12.807 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.925 3.929 -10.707 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.788 7.765 -10.749 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.464 3.697 -8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.332 7.528 -8.367 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.664 5.497 -7.147 1.00 0.00 H new ATOM 887 N ASN A 90 0.475 6.011 -14.933 1.00 0.00 N ATOM 888 CA ASN A 90 0.162 6.367 -16.320 1.00 0.00 C ATOM 889 C ASN A 90 -1.120 7.198 -16.362 1.00 0.00 C ATOM 890 O ASN A 90 -1.311 8.032 -17.246 1.00 0.00 O ATOM 891 CB ASN A 90 0.008 5.105 -17.181 1.00 0.00 C ATOM 892 CG ASN A 90 -0.233 5.412 -18.651 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.232 6.428 -19.176 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.951 4.532 -19.331 1.00 0.00 N ATOM 0 H ASN A 90 0.389 5.016 -14.724 1.00 0.00 H new ATOM 0 HA ASN A 90 0.984 6.957 -16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.907 4.495 -17.086 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.822 4.511 -16.799 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.136 4.682 -20.323 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.319 3.704 -18.863 1.00 0.00 H new ATOM 901 N ALA A 91 -1.988 6.969 -15.377 1.00 0.00 N ATOM 902 CA ALA A 91 -3.217 7.742 -15.218 1.00 0.00 C ATOM 903 C ALA A 91 -2.931 9.051 -14.478 1.00 0.00 C ATOM 904 O ALA A 91 -3.853 9.768 -14.081 1.00 0.00 O ATOM 905 CB ALA A 91 -4.264 6.919 -14.476 1.00 0.00 C ATOM 0 H ALA A 91 -1.859 6.245 -14.670 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.608 7.987 -16.205 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.176 7.506 -14.364 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.483 6.013 -15.042 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.883 6.648 -13.491 1.00 0.00 H new ATOM 911 N ASN A 92 -1.639 9.332 -14.284 1.00 0.00 N ATOM 912 CA ASN A 92 -1.168 10.593 -13.706 1.00 0.00 C ATOM 913 C ASN A 92 -1.548 10.727 -12.232 1.00 0.00 C ATOM 914 O ASN A 92 -1.734 11.835 -11.728 1.00 0.00 O ATOM 915 CB ASN A 92 -1.687 11.797 -14.515 1.00 0.00 C ATOM 916 CG ASN A 92 -1.109 11.839 -15.919 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.036 12.401 -16.142 1.00 0.00 O ATOM 918 ND2 ASN A 92 -1.813 11.257 -16.879 1.00 0.00 N ATOM 0 H ASN A 92 -0.887 8.687 -14.525 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.079 10.583 -13.760 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.774 11.751 -14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.434 12.720 -13.992 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.470 11.265 -17.840 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.698 10.801 -16.657 1.00 0.00 H new ATOM 925 N TYR A 93 -1.643 9.595 -11.537 1.00 0.00 N ATOM 926 CA TYR A 93 -1.856 9.601 -10.090 1.00 0.00 C ATOM 927 C TYR A 93 -0.516 9.626 -9.361 1.00 0.00 C ATOM 928 O TYR A 93 0.215 8.631 -9.352 1.00 0.00 O ATOM 929 CB TYR A 93 -2.674 8.379 -9.643 1.00 0.00 C ATOM 930 CG TYR A 93 -4.118 8.405 -10.104 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.911 9.527 -9.888 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.687 7.313 -10.748 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.228 9.559 -10.300 1.00 0.00 C ATOM 934 CE2 TYR A 93 -6.005 7.339 -11.164 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.771 8.464 -10.937 1.00 0.00 C ATOM 936 OH TYR A 93 -8.085 8.497 -11.350 1.00 0.00 O ATOM 0 H TYR A 93 -1.576 8.665 -11.950 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.420 10.499 -9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.197 7.476 -10.024 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.651 8.317 -8.555 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.489 10.387 -9.390 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.090 6.431 -10.926 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.830 10.438 -10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.433 6.483 -11.664 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.313 7.648 -11.783 1.00 0.00 H new ATOM 946 N ASP A 94 -0.194 10.767 -8.756 1.00 0.00 N ATOM 947 CA ASP A 94 1.050 10.919 -8.001 1.00 0.00 C ATOM 948 C ASP A 94 0.909 10.317 -6.606 1.00 0.00 C ATOM 949 O ASP A 94 0.993 11.017 -5.594 1.00 0.00 O ATOM 950 CB ASP A 94 1.475 12.396 -7.905 1.00 0.00 C ATOM 951 CG ASP A 94 2.061 12.924 -9.203 1.00 0.00 C ATOM 952 OD1 ASP A 94 3.261 12.679 -9.463 1.00 0.00 O ATOM 953 OD2 ASP A 94 1.331 13.586 -9.974 1.00 0.00 O ATOM 0 H ASP A 94 -0.778 11.603 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 94 1.830 10.380 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.611 13.001 -7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.210 12.507 -7.108 1.00 0.00 H new ATOM 958 N VAL A 95 0.679 9.014 -6.572 1.00 0.00 N ATOM 959 CA VAL A 95 0.602 8.265 -5.324 1.00 0.00 C ATOM 960 C VAL A 95 1.991 7.747 -4.966 1.00 0.00 C ATOM 961 O VAL A 95 2.903 7.805 -5.799 1.00 0.00 O ATOM 962 CB VAL A 95 -0.382 7.070 -5.456 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.748 7.548 -5.942 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.178 5.995 -6.392 1.00 0.00 C ATOM 0 H VAL A 95 0.540 8.445 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 95 0.235 8.926 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.504 6.625 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.422 6.696 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.157 8.264 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.641 8.025 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.532 5.171 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.341 6.423 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.124 5.625 -5.996 1.00 0.00 H new ATOM 974 N GLN A 96 2.178 7.255 -3.745 1.00 0.00 N ATOM 975 CA GLN A 96 3.446 6.610 -3.403 1.00 0.00 C ATOM 976 C GLN A 96 3.223 5.114 -3.229 1.00 0.00 C ATOM 977 O GLN A 96 2.180 4.699 -2.731 1.00 0.00 O ATOM 978 CB GLN A 96 4.076 7.220 -2.139 1.00 0.00 C ATOM 979 CG GLN A 96 5.483 6.695 -1.836 1.00 0.00 C ATOM 980 CD GLN A 96 6.522 7.069 -2.897 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.202 7.239 -4.071 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.786 7.177 -2.492 1.00 0.00 N ATOM 0 H GLN A 96 1.490 7.287 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 96 4.148 6.779 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.119 8.303 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.430 7.014 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.806 7.084 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.444 5.609 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.021 7.030 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.519 7.407 -3.163 1.00 0.00 H new ATOM 991 N ARG A 97 4.190 4.305 -3.654 1.00 0.00 N ATOM 992 CA ARG A 97 4.052 2.854 -3.575 1.00 0.00 C ATOM 993 C ARG A 97 5.356 2.217 -3.102 1.00 0.00 C ATOM 994 O ARG A 97 6.443 2.602 -3.544 1.00 0.00 O ATOM 995 CB ARG A 97 3.637 2.261 -4.944 1.00 0.00 C ATOM 996 CG ARG A 97 4.793 2.018 -5.925 1.00 0.00 C ATOM 997 CD ARG A 97 5.485 3.308 -6.364 1.00 0.00 C ATOM 998 NE ARG A 97 6.764 3.041 -7.034 1.00 0.00 N ATOM 999 CZ ARG A 97 7.362 3.878 -7.887 1.00 0.00 C ATOM 1000 NH1 ARG A 97 6.765 5.005 -8.252 1.00 0.00 N ATOM 1001 NH2 ARG A 97 8.552 3.574 -8.386 1.00 0.00 N ATOM 0 H ARG A 97 5.072 4.627 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 97 3.268 2.631 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.122 1.316 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.919 2.935 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.526 1.360 -5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.413 1.499 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.830 3.860 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.656 3.943 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 97 7.228 2.155 -6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.844 5.237 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.227 5.639 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.010 2.702 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.010 4.212 -9.037 1.00 0.00 H new ATOM 1015 N PHE A 98 5.245 1.278 -2.174 1.00 0.00 N ATOM 1016 CA PHE A 98 6.373 0.451 -1.760 1.00 0.00 C ATOM 1017 C PHE A 98 5.952 -1.014 -1.770 1.00 0.00 C ATOM 1018 O PHE A 98 4.762 -1.329 -1.625 1.00 0.00 O ATOM 1019 CB PHE A 98 6.868 0.854 -0.361 1.00 0.00 C ATOM 1020 CG PHE A 98 7.525 2.214 -0.307 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.890 2.346 -0.509 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.782 3.356 -0.047 1.00 0.00 C ATOM 1023 CE1 PHE A 98 9.499 3.585 -0.457 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.387 4.597 0.008 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.747 4.712 -0.198 1.00 0.00 C ATOM 0 H PHE A 98 4.374 1.067 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 98 7.195 0.600 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.024 0.843 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.578 0.105 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.486 1.468 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.717 3.274 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.563 3.671 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.796 5.477 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.221 5.682 -0.157 1.00 0.00 H new ATOM 1035 N ILE A 99 6.917 -1.905 -1.958 1.00 0.00 N ATOM 1036 CA ILE A 99 6.643 -3.334 -2.002 1.00 0.00 C ATOM 1037 C ILE A 99 7.600 -4.098 -1.084 1.00 0.00 C ATOM 1038 O ILE A 99 8.699 -4.486 -1.476 1.00 0.00 O ATOM 1039 CB ILE A 99 6.706 -3.888 -3.456 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.491 -5.414 -3.468 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.023 -3.507 -4.137 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.503 -6.025 -4.854 1.00 0.00 C ATOM 0 H ILE A 99 7.900 -1.661 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 99 5.626 -3.485 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 99 5.898 -3.430 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.269 -5.885 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.538 -5.640 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.038 -3.908 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.112 -2.421 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.858 -3.920 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.345 -7.101 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.707 -5.583 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.465 -5.832 -5.329 1.00 0.00 H new ATOM 1054 N VAL A 100 7.179 -4.260 0.161 1.00 0.00 N ATOM 1055 CA VAL A 100 7.895 -5.069 1.135 1.00 0.00 C ATOM 1056 C VAL A 100 6.897 -6.017 1.790 1.00 0.00 C ATOM 1057 O VAL A 100 5.842 -5.589 2.261 1.00 0.00 O ATOM 1058 CB VAL A 100 8.616 -4.196 2.200 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.643 -3.247 2.894 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.348 -5.070 3.220 1.00 0.00 C ATOM 0 H VAL A 100 6.328 -3.832 0.525 1.00 0.00 H new ATOM 0 HA VAL A 100 8.675 -5.635 0.626 1.00 0.00 H new ATOM 0 HB VAL A 100 9.357 -3.588 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.180 -2.651 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.190 -2.586 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.864 -3.825 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.844 -4.435 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.631 -5.717 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.091 -5.682 2.708 1.00 0.00 H new ATOM 1070 N GLY A 101 7.220 -7.304 1.802 1.00 0.00 N ATOM 1071 CA GLY A 101 6.233 -8.305 2.153 1.00 0.00 C ATOM 1072 C GLY A 101 5.689 -8.966 0.901 1.00 0.00 C ATOM 1073 O GLY A 101 4.915 -8.361 0.169 1.00 0.00 O ATOM 0 H GLY A 101 8.144 -7.671 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.681 -9.056 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.419 -7.843 2.712 1.00 0.00 H new ATOM 1077 N SER A 102 6.138 -10.187 0.637 1.00 0.00 N ATOM 1078 CA SER A 102 5.829 -10.907 -0.603 1.00 0.00 C ATOM 1079 C SER A 102 4.340 -10.859 -0.989 1.00 0.00 C ATOM 1080 O SER A 102 3.996 -10.999 -2.161 1.00 0.00 O ATOM 1081 CB SER A 102 6.278 -12.354 -0.449 1.00 0.00 C ATOM 1082 OG SER A 102 7.626 -12.416 -0.010 1.00 0.00 O ATOM 0 H SER A 102 6.731 -10.713 1.279 1.00 0.00 H new ATOM 0 HA SER A 102 6.366 -10.410 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.634 -12.866 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.176 -12.875 -1.401 1.00 0.00 H new ATOM 0 HG SER A 102 8.079 -13.165 -0.450 1.00 0.00 H new ATOM 1088 N ASP A 103 3.466 -10.682 -0.009 1.00 0.00 N ATOM 1089 CA ASP A 103 2.026 -10.580 -0.266 1.00 0.00 C ATOM 1090 C ASP A 103 1.588 -9.118 -0.240 1.00 0.00 C ATOM 1091 O ASP A 103 0.620 -8.725 -0.902 1.00 0.00 O ATOM 1092 CB ASP A 103 1.250 -11.361 0.803 1.00 0.00 C ATOM 1093 CG ASP A 103 1.355 -10.719 2.183 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.495 -10.476 2.641 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.302 -10.443 2.799 1.00 0.00 O ATOM 0 H ASP A 103 3.724 -10.605 0.975 1.00 0.00 H new ATOM 0 HA ASP A 103 1.816 -11.000 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.201 -11.424 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.629 -12.382 0.850 1.00 0.00 H new ATOM 1100 N ARG A 104 2.335 -8.335 0.527 1.00 0.00 N ATOM 1101 CA ARG A 104 1.999 -6.956 0.845 1.00 0.00 C ATOM 1102 C ARG A 104 2.461 -5.970 -0.232 1.00 0.00 C ATOM 1103 O ARG A 104 3.647 -5.879 -0.553 1.00 0.00 O ATOM 1104 CB ARG A 104 2.652 -6.578 2.180 1.00 0.00 C ATOM 1105 CG ARG A 104 2.346 -5.157 2.659 1.00 0.00 C ATOM 1106 CD ARG A 104 1.180 -5.114 3.639 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.107 -5.450 3.019 1.00 0.00 N ATOM 1108 CZ ARG A 104 -0.893 -6.450 3.427 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -0.423 -7.378 4.249 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.137 -6.554 2.976 1.00 0.00 N ATOM 0 H ARG A 104 3.208 -8.648 0.953 1.00 0.00 H new ATOM 0 HA ARG A 104 0.913 -6.891 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.323 -7.283 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.732 -6.691 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.233 -4.738 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.118 -4.528 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.375 -5.808 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.117 -4.117 4.075 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.420 -4.886 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.543 -7.330 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.027 -8.139 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.498 -5.868 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.732 -7.320 3.292 1.00 0.00 H new ATOM 1124 N ALA A 105 1.504 -5.237 -0.778 1.00 0.00 N ATOM 1125 CA ALA A 105 1.776 -4.045 -1.569 1.00 0.00 C ATOM 1126 C ALA A 105 1.172 -2.854 -0.836 1.00 0.00 C ATOM 1127 O ALA A 105 0.022 -2.921 -0.398 1.00 0.00 O ATOM 1128 CB ALA A 105 1.189 -4.184 -2.970 1.00 0.00 C ATOM 0 H ALA A 105 0.511 -5.452 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 105 2.850 -3.903 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.403 -3.283 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.634 -5.046 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.110 -4.322 -2.900 1.00 0.00 H new ATOM 1134 N ILE A 106 1.928 -1.769 -0.682 1.00 0.00 N ATOM 1135 CA ILE A 106 1.466 -0.648 0.138 1.00 0.00 C ATOM 1136 C ILE A 106 1.468 0.660 -0.652 1.00 0.00 C ATOM 1137 O ILE A 106 2.437 0.985 -1.344 1.00 0.00 O ATOM 1138 CB ILE A 106 2.307 -0.502 1.435 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.773 0.649 2.305 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.788 -0.302 1.117 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.511 0.821 3.618 1.00 0.00 C ATOM 0 H ILE A 106 2.847 -1.641 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 106 0.439 -0.868 0.427 1.00 0.00 H new ATOM 0 HB ILE A 106 2.212 -1.429 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.837 1.579 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.717 0.474 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.349 -0.203 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.159 -1.161 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.913 0.601 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.076 1.652 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.426 -0.093 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.563 1.028 3.420 1.00 0.00 H new ATOM 1153 N PHE A 107 0.357 1.389 -0.557 1.00 0.00 N ATOM 1154 CA PHE A 107 0.181 2.658 -1.261 1.00 0.00 C ATOM 1155 C PHE A 107 -0.076 3.788 -0.264 1.00 0.00 C ATOM 1156 O PHE A 107 -0.948 3.677 0.604 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.987 2.568 -2.259 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.692 1.735 -3.484 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.507 0.364 -3.385 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.606 2.327 -4.741 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.240 -0.398 -4.507 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.339 1.568 -5.865 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.156 0.205 -5.747 1.00 0.00 C ATOM 0 H PHE A 107 -0.446 1.117 0.010 1.00 0.00 H new ATOM 0 HA PHE A 107 1.097 2.871 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.855 2.149 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.259 3.575 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.572 -0.114 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.750 3.393 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.097 -1.464 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.274 2.041 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.053 -0.390 -6.624 1.00 0.00 H new ATOM 1173 N MET A 108 0.692 4.862 -0.393 1.00 0.00 N ATOM 1174 CA MET A 108 0.529 6.044 0.448 1.00 0.00 C ATOM 1175 C MET A 108 -0.269 7.114 -0.290 1.00 0.00 C ATOM 1176 O MET A 108 0.127 7.544 -1.392 1.00 0.00 O ATOM 1177 CB MET A 108 1.894 6.620 0.852 1.00 0.00 C ATOM 1178 CG MET A 108 2.733 5.701 1.727 1.00 0.00 C ATOM 1179 SD MET A 108 3.277 4.207 0.878 1.00 0.00 S ATOM 1180 CE MET A 108 4.270 3.448 2.162 1.00 0.00 C ATOM 0 H MET A 108 1.442 4.940 -1.080 1.00 0.00 H new ATOM 0 HA MET A 108 -0.009 5.743 1.347 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.457 6.854 -0.051 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.735 7.560 1.381 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.607 6.247 2.082 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.154 5.420 2.607 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.565 2.446 1.850 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.161 4.051 2.337 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.689 3.385 3.082 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.394 7.529 0.314 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.212 8.620 -0.205 1.00 0.00 C ATOM 1192 C LEU A 109 -2.242 9.759 0.817 1.00 0.00 C ATOM 1193 O LEU A 109 -2.639 9.559 1.965 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.658 8.156 -0.486 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.842 7.029 -1.522 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.127 7.365 -2.826 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.380 5.677 -0.970 1.00 0.00 C ATOM 0 H LEU A 109 -1.755 7.114 1.173 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.772 8.959 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.097 7.826 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.232 9.020 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.908 6.947 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.272 6.554 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.535 8.288 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.062 7.493 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.524 4.906 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.324 5.733 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.963 5.428 -0.083 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.804 10.943 0.412 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.934 12.124 1.260 1.00 0.00 C ATOM 1211 C ARG A 110 -3.409 12.481 1.391 1.00 0.00 C ATOM 1212 O ARG A 110 -3.922 12.686 2.492 1.00 0.00 O ATOM 1213 CB ARG A 110 -1.131 13.301 0.688 1.00 0.00 C ATOM 1214 CG ARG A 110 0.329 13.334 1.138 1.00 0.00 C ATOM 1215 CD ARG A 110 0.450 13.642 2.633 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.369 14.799 3.006 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.077 16.067 2.707 1.00 0.00 C ATOM 1218 NH1 ARG A 110 1.040 16.371 2.050 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -0.916 17.032 3.066 1.00 0.00 N ATOM 0 H ARG A 110 -1.359 11.113 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.528 11.905 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.164 13.255 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.613 14.233 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.798 12.374 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.870 14.087 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.140 12.772 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.493 13.836 2.883 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.225 14.622 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.684 15.631 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.252 17.344 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.775 16.801 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.702 18.004 2.842 1.00 0.00 H new ATOM 1233 N ASP A 111 -4.077 12.536 0.245 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.523 12.696 0.189 1.00 0.00 C ATOM 1235 C ASP A 111 -6.103 11.605 -0.704 1.00 0.00 C ATOM 1236 O ASP A 111 -5.885 11.600 -1.919 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.911 14.087 -0.342 1.00 0.00 C ATOM 1238 CG ASP A 111 -5.544 15.212 0.618 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -4.399 15.711 0.555 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -6.398 15.607 1.442 1.00 0.00 O ATOM 0 H ASP A 111 -3.631 12.471 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.930 12.607 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.416 14.256 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.984 14.112 -0.530 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.826 10.673 -0.096 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.355 9.533 -0.821 1.00 0.00 C ATOM 1247 C GLY A 112 -8.729 9.796 -1.396 1.00 0.00 C ATOM 1248 O GLY A 112 -9.633 8.977 -1.254 1.00 0.00 O ATOM 0 H GLY A 112 -7.058 10.687 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.671 9.272 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.403 8.673 -0.153 1.00 0.00 H new ATOM 1252 N SER A 113 -8.892 10.944 -2.043 1.00 0.00 N ATOM 1253 CA SER A 113 -10.161 11.305 -2.663 1.00 0.00 C ATOM 1254 C SER A 113 -10.556 10.268 -3.718 1.00 0.00 C ATOM 1255 O SER A 113 -11.722 9.878 -3.828 1.00 0.00 O ATOM 1256 CB SER A 113 -10.039 12.694 -3.295 1.00 0.00 C ATOM 1257 OG SER A 113 -9.464 13.610 -2.377 1.00 0.00 O ATOM 0 H SER A 113 -8.158 11.643 -2.152 1.00 0.00 H new ATOM 0 HA SER A 113 -10.940 11.325 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.425 12.638 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.023 13.048 -3.602 1.00 0.00 H new ATOM 0 HG SER A 113 -9.392 14.492 -2.797 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.560 9.802 -4.467 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.767 8.822 -5.531 1.00 0.00 C ATOM 1265 C TYR A 114 -9.437 7.406 -5.050 1.00 0.00 C ATOM 1266 O TYR A 114 -9.163 6.513 -5.853 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.927 9.194 -6.767 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.472 9.528 -6.472 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -7.089 10.828 -6.154 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.484 8.549 -6.521 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.769 11.141 -5.896 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.162 8.855 -6.261 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.808 10.150 -5.949 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.491 10.461 -5.695 1.00 0.00 O ATOM 0 H TYR A 114 -8.589 10.092 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.820 8.836 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.959 8.365 -7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.389 10.050 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.837 11.605 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.755 7.533 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.489 12.156 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.409 8.082 -6.302 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.447 11.212 -5.067 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.501 7.203 -3.733 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.201 5.904 -3.133 1.00 0.00 C ATOM 1286 C ALA A 115 -10.158 4.826 -3.627 1.00 0.00 C ATOM 1287 O ALA A 115 -9.744 3.700 -3.911 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.267 5.989 -1.616 1.00 0.00 C ATOM 0 H ALA A 115 -9.759 7.925 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.190 5.631 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.041 5.013 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.540 6.719 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.268 6.296 -1.312 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.437 5.172 -3.729 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.451 4.205 -4.128 1.00 0.00 C ATOM 1296 C TRP A 116 -12.250 3.796 -5.579 1.00 0.00 C ATOM 1297 O TRP A 116 -12.491 2.647 -5.941 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.865 4.761 -3.912 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.132 5.204 -2.499 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -14.841 6.303 -2.112 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.690 4.567 -1.287 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -14.872 6.391 -0.744 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.174 5.339 -0.213 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.935 3.422 -1.004 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -13.926 5.003 1.116 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.689 3.095 0.315 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.184 3.880 1.360 1.00 0.00 C ATOM 0 H TRP A 116 -11.794 6.109 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 116 -12.342 3.322 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -14.020 5.605 -4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.592 3.997 -4.187 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.311 7.004 -2.786 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -15.340 7.122 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.552 2.805 -1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.306 5.608 1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -12.103 2.217 0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.977 3.594 2.381 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.788 4.736 -6.403 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.467 4.433 -7.795 1.00 0.00 C ATOM 1320 C GLU A 117 -10.390 3.350 -7.857 1.00 0.00 C ATOM 1321 O GLU A 117 -10.481 2.406 -8.644 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.000 5.691 -8.543 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.050 6.795 -8.611 1.00 0.00 C ATOM 1324 CD GLU A 117 -11.675 7.907 -9.579 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.800 7.694 -10.806 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.253 8.994 -9.130 1.00 0.00 O ATOM 0 H GLU A 117 -11.629 5.706 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.371 4.069 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.107 6.082 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.713 5.413 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.005 6.364 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.191 7.218 -7.616 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.375 3.492 -7.002 1.00 0.00 N ATOM 1334 CA ILE A 118 -8.316 2.493 -6.892 1.00 0.00 C ATOM 1335 C ILE A 118 -8.876 1.178 -6.359 1.00 0.00 C ATOM 1336 O ILE A 118 -8.536 0.114 -6.861 1.00 0.00 O ATOM 1337 CB ILE A 118 -7.139 2.990 -5.998 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -6.156 3.831 -6.829 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.405 1.826 -5.323 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -6.756 5.078 -7.450 1.00 0.00 C ATOM 0 H ILE A 118 -9.266 4.290 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.917 2.327 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.564 3.612 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.322 4.124 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.747 3.207 -7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.592 2.215 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.102 1.272 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.998 1.162 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.990 5.607 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.571 4.796 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.139 5.728 -6.663 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.749 1.264 -5.359 1.00 0.00 N ATOM 1353 CA LYS A 119 -10.402 0.079 -4.799 1.00 0.00 C ATOM 1354 C LYS A 119 -11.079 -0.725 -5.910 1.00 0.00 C ATOM 1355 O LYS A 119 -10.854 -1.932 -6.056 1.00 0.00 O ATOM 1356 CB LYS A 119 -11.443 0.491 -3.745 1.00 0.00 C ATOM 1357 CG LYS A 119 -12.246 -0.679 -3.174 1.00 0.00 C ATOM 1358 CD LYS A 119 -13.381 -0.206 -2.266 1.00 0.00 C ATOM 1359 CE LYS A 119 -14.370 0.692 -3.006 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.953 0.022 -4.198 1.00 0.00 N ATOM 0 H LYS A 119 -10.022 2.142 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.643 -0.542 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.935 1.003 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.132 1.208 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -12.658 -1.269 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.581 -1.335 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.908 -1.071 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.964 0.336 -1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.171 0.984 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.866 1.607 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.520 0.410 -5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.767 -1.000 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.980 0.187 -4.221 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.899 -0.033 -6.700 1.00 0.00 N ATOM 1375 CA ASP A 120 -12.609 -0.654 -7.813 1.00 0.00 C ATOM 1376 C ASP A 120 -11.624 -1.202 -8.840 1.00 0.00 C ATOM 1377 O ASP A 120 -11.838 -2.276 -9.396 1.00 0.00 O ATOM 1378 CB ASP A 120 -13.584 0.341 -8.465 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.844 0.558 -7.632 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.769 1.230 -6.584 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -15.920 0.040 -8.013 1.00 0.00 O ATOM 0 H ASP A 120 -12.087 0.963 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 120 -13.192 -1.488 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.080 1.296 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.864 -0.025 -9.453 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.532 -0.475 -9.071 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.496 -0.923 -9.998 1.00 0.00 C ATOM 1388 C PHE A 121 -8.879 -2.238 -9.516 1.00 0.00 C ATOM 1389 O PHE A 121 -8.827 -3.219 -10.260 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.411 0.155 -10.151 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.268 -0.256 -11.047 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.427 -0.296 -12.427 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -6.037 -0.606 -10.511 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.383 -0.678 -13.249 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.992 -0.987 -11.329 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.164 -1.023 -12.699 1.00 0.00 C ATOM 0 H PHE A 121 -10.343 0.425 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.954 -1.094 -10.972 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.866 1.061 -10.550 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.017 0.404 -9.166 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.378 -0.025 -12.863 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.894 -0.580 -9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.521 -0.707 -14.320 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.040 -1.257 -10.897 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.347 -1.320 -13.339 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.411 -2.247 -8.268 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.847 -3.448 -7.649 1.00 0.00 C ATOM 1408 C LEU A 122 -8.788 -4.651 -7.800 1.00 0.00 C ATOM 1409 O LEU A 122 -8.358 -5.739 -8.192 1.00 0.00 O ATOM 1410 CB LEU A 122 -7.562 -3.208 -6.156 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.624 -2.029 -5.837 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -6.390 -1.919 -4.332 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -5.297 -2.161 -6.581 1.00 0.00 C ATOM 0 H LEU A 122 -8.412 -1.428 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.913 -3.669 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.511 -3.042 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.129 -4.116 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.109 -1.114 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.725 -1.080 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.342 -1.759 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.936 -2.840 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.656 -1.314 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.804 -3.087 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.482 -2.177 -7.655 1.00 0.00 H new ATOM 1425 N VAL A 123 -10.071 -4.454 -7.493 1.00 0.00 N ATOM 1426 CA VAL A 123 -11.048 -5.547 -7.559 1.00 0.00 C ATOM 1427 C VAL A 123 -11.517 -5.792 -8.997 1.00 0.00 C ATOM 1428 O VAL A 123 -12.135 -6.818 -9.289 1.00 0.00 O ATOM 1429 CB VAL A 123 -12.274 -5.294 -6.644 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.834 -5.064 -5.198 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -13.116 -4.126 -7.156 1.00 0.00 C ATOM 0 H VAL A 123 -10.457 -3.557 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.535 -6.438 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.900 -6.186 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.711 -4.889 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.301 -5.943 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -11.176 -4.196 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.968 -3.974 -6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.508 -3.222 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.474 -4.348 -8.161 1.00 0.00 H new ATOM 1441 N SER A 124 -11.214 -4.852 -9.892 1.00 0.00 N ATOM 1442 CA SER A 124 -11.525 -4.997 -11.317 1.00 0.00 C ATOM 1443 C SER A 124 -10.573 -6.000 -11.976 1.00 0.00 C ATOM 1444 O SER A 124 -10.683 -6.289 -13.171 1.00 0.00 O ATOM 1445 CB SER A 124 -11.437 -3.629 -12.018 1.00 0.00 C ATOM 1446 OG SER A 124 -11.768 -3.710 -13.398 1.00 0.00 O ATOM 0 H SER A 124 -10.750 -3.975 -9.654 1.00 0.00 H new ATOM 0 HA SER A 124 -12.542 -5.377 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.109 -2.927 -11.526 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.427 -3.232 -11.911 1.00 0.00 H new ATOM 0 HG SER A 124 -11.480 -4.577 -13.753 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.648 -6.541 -11.188 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.661 -7.483 -11.692 1.00 0.00 C ATOM 1454 C GLN A 125 -9.226 -8.902 -11.723 1.00 0.00 C ATOM 1455 O GLN A 125 -10.254 -9.192 -11.105 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.364 -7.417 -10.878 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.638 -6.081 -11.007 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.134 -6.216 -10.852 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.642 -6.104 -9.629 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -4.416 -6.422 -11.828 1.00 0.00 N flip ATOM 0 H GLN A 125 -9.564 -6.339 -10.192 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.419 -7.199 -12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.593 -7.598 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.699 -8.217 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.861 -5.643 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.017 -5.392 -10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.829 -6.503 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.407 -6.512 -11.709 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.533 -9.777 -12.439 1.00 0.00 N ATOM 1470 CA ASP A 126 -9.059 -11.097 -12.788 1.00 0.00 C ATOM 1471 C ASP A 126 -8.942 -12.055 -11.608 1.00 0.00 C ATOM 1472 O ASP A 126 -9.889 -12.767 -11.269 1.00 0.00 O ATOM 1473 CB ASP A 126 -8.314 -11.660 -14.004 1.00 0.00 C ATOM 1474 CG ASP A 126 -8.302 -10.686 -15.172 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -9.355 -10.510 -15.821 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -7.240 -10.082 -15.441 1.00 0.00 O ATOM 0 H ASP A 126 -7.594 -9.597 -12.795 1.00 0.00 H new ATOM 0 HA ASP A 126 -10.114 -10.990 -13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.289 -11.898 -13.721 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.784 -12.593 -14.316 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.770 -12.075 -10.987 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.536 -12.912 -9.812 1.00 0.00 C ATOM 1483 C ARG A 127 -7.956 -12.169 -8.547 1.00 0.00 C ATOM 1484 O ARG A 127 -8.201 -12.785 -7.507 1.00 0.00 O ATOM 1485 CB ARG A 127 -6.060 -13.324 -9.729 1.00 0.00 C ATOM 1486 CG ARG A 127 -5.545 -13.982 -11.005 1.00 0.00 C ATOM 1487 CD ARG A 127 -4.112 -14.482 -10.856 1.00 0.00 C ATOM 1488 NE ARG A 127 -3.565 -14.944 -12.134 1.00 0.00 N ATOM 1489 CZ ARG A 127 -2.694 -15.943 -12.268 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -2.290 -16.634 -11.209 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -2.237 -16.263 -13.470 1.00 0.00 N ATOM 0 H ARG A 127 -6.964 -11.521 -11.276 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.138 -13.816 -9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.456 -12.443 -9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.929 -14.013 -8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.194 -14.817 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.595 -13.267 -11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.486 -13.682 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.084 -15.296 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 127 -3.873 -14.467 -12.981 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.647 -16.402 -10.282 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -1.623 -17.397 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -2.552 -15.745 -14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.570 -17.028 -13.575 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.028 -10.839 -8.656 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.467 -9.973 -7.559 1.00 0.00 C ATOM 1507 C CYS A 128 -7.462 -9.981 -6.403 1.00 0.00 C ATOM 1508 O CYS A 128 -6.470 -10.716 -6.429 1.00 0.00 O ATOM 1509 CB CYS A 128 -9.859 -10.394 -7.059 1.00 0.00 C ATOM 1510 SG CYS A 128 -11.119 -10.470 -8.356 1.00 0.00 S ATOM 0 H CYS A 128 -7.784 -10.333 -9.507 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.526 -8.956 -7.946 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -9.782 -11.372 -6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.185 -9.692 -6.291 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.661 -9.916 -9.439 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.723 -9.150 -5.397 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.866 -9.057 -4.221 1.00 0.00 C ATOM 1518 C ALA A 129 -7.627 -8.405 -3.073 1.00 0.00 C ATOM 1519 O ALA A 129 -8.597 -7.675 -3.300 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.603 -8.262 -4.544 1.00 0.00 C ATOM 0 H ALA A 129 -8.530 -8.526 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.571 -10.062 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.974 -8.202 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.055 -8.759 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.878 -7.257 -4.863 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.195 -8.673 -1.846 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.822 -8.091 -0.663 1.00 0.00 C ATOM 1528 C GLU A 130 -7.007 -6.900 -0.165 1.00 0.00 C ATOM 1529 O GLU A 130 -5.808 -6.802 -0.441 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.972 -9.143 0.441 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.869 -10.312 0.046 1.00 0.00 C ATOM 1532 CD GLU A 130 -10.247 -9.863 -0.427 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -10.945 -9.164 0.338 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -10.646 -10.213 -1.560 1.00 0.00 O ATOM 0 H GLU A 130 -6.410 -9.292 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.818 -7.740 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.986 -9.525 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.379 -8.667 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.386 -10.884 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.982 -10.982 0.898 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.652 -6.004 0.572 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.012 -4.764 1.001 1.00 0.00 C ATOM 1543 C VAL A 131 -7.224 -4.520 2.496 1.00 0.00 C ATOM 1544 O VAL A 131 -8.202 -4.988 3.087 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.549 -3.554 0.188 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -9.051 -3.361 0.413 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.775 -2.276 0.519 1.00 0.00 C ATOM 0 H VAL A 131 -8.617 -6.111 0.885 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.943 -4.867 0.815 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.394 -3.771 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -9.399 -2.507 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.584 -4.257 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.240 -3.181 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.174 -1.447 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.877 -2.053 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.721 -2.416 0.278 1.00 0.00 H new ATOM 1557 N THR A 132 -6.275 -3.820 3.105 1.00 0.00 N ATOM 1558 CA THR A 132 -6.371 -3.392 4.492 1.00 0.00 C ATOM 1559 C THR A 132 -6.184 -1.876 4.561 1.00 0.00 C ATOM 1560 O THR A 132 -5.285 -1.331 3.914 1.00 0.00 O ATOM 1561 CB THR A 132 -5.300 -4.097 5.356 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.435 -5.520 5.221 1.00 0.00 O ATOM 1563 CG2 THR A 132 -5.422 -3.708 6.826 1.00 0.00 C ATOM 0 H THR A 132 -5.411 -3.532 2.645 1.00 0.00 H new ATOM 0 HA THR A 132 -7.353 -3.661 4.882 1.00 0.00 H new ATOM 0 HB THR A 132 -4.318 -3.780 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.755 -5.966 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 132 -4.654 -4.222 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 132 -5.293 -2.631 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.406 -3.993 7.197 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.035 -1.196 5.321 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.013 0.265 5.377 1.00 0.00 C ATOM 1573 C LEU A 133 -6.211 0.763 6.578 1.00 0.00 C ATOM 1574 O LEU A 133 -6.244 0.158 7.652 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.450 0.804 5.434 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.335 0.412 4.237 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.760 0.919 4.423 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.744 0.931 2.925 1.00 0.00 C ATOM 0 H LEU A 133 -7.748 -1.630 5.907 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.524 0.635 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.921 0.445 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.413 1.891 5.500 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.366 -0.676 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.365 0.629 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.185 0.486 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.751 2.005 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.389 0.640 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.670 2.018 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.751 0.505 2.780 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.484 1.858 6.382 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.688 2.470 7.441 1.00 0.00 C ATOM 1592 C GLU A 134 -5.566 3.393 8.287 1.00 0.00 C ATOM 1593 O GLU A 134 -6.338 4.194 7.752 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.509 3.239 6.819 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.453 3.740 7.812 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.801 5.076 8.458 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.735 6.112 7.762 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -3.123 5.099 9.663 1.00 0.00 O ATOM 0 H GLU A 134 -5.430 2.345 5.488 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.287 1.695 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.020 2.593 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.904 4.095 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.320 2.993 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.498 3.835 7.295 1.00 0.00 H new ATOM 1605 N GLY A 135 -5.457 3.260 9.605 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.218 4.096 10.513 1.00 0.00 C ATOM 1607 C GLY A 135 -7.520 3.449 10.931 1.00 0.00 C ATOM 1608 O GLY A 135 -7.582 2.765 11.958 1.00 0.00 O ATOM 0 H GLY A 135 -4.849 2.581 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.618 4.307 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.427 5.053 10.034 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.561 3.654 10.130 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.896 3.145 10.443 1.00 0.00 C ATOM 1614 C GLN A 136 -10.589 2.652 9.175 1.00 0.00 C ATOM 1615 O GLN A 136 -10.315 3.142 8.077 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.748 4.246 11.102 1.00 0.00 C ATOM 1617 CG GLN A 136 -10.116 4.860 12.350 1.00 0.00 C ATOM 1618 CD GLN A 136 -10.929 6.002 12.946 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -12.251 5.919 12.862 1.00 0.00 O flip ATOM 1620 NE2 GLN A 136 -10.367 6.944 13.503 1.00 0.00 N flip ATOM 0 H GLN A 136 -8.507 4.172 9.253 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.790 2.312 11.138 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.929 5.036 10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.719 3.829 11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -9.990 4.083 13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -9.120 5.226 12.100 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -9.349 6.975 13.549 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.920 7.694 13.919 1.00 0.00 H new ATOM 1629 N MET A 137 -11.482 1.679 9.333 1.00 0.00 N ATOM 1630 CA MET A 137 -12.283 1.188 8.219 1.00 0.00 C ATOM 1631 C MET A 137 -13.331 2.236 7.852 1.00 0.00 C ATOM 1632 O MET A 137 -14.399 2.303 8.464 1.00 0.00 O ATOM 1633 CB MET A 137 -12.955 -0.146 8.579 1.00 0.00 C ATOM 1634 CG MET A 137 -13.755 -0.764 7.436 1.00 0.00 C ATOM 1635 SD MET A 137 -12.744 -1.091 5.979 1.00 0.00 S ATOM 1636 CE MET A 137 -13.944 -1.822 4.868 1.00 0.00 C ATOM 0 H MET A 137 -11.668 1.216 10.222 1.00 0.00 H new ATOM 0 HA MET A 137 -11.634 1.013 7.361 1.00 0.00 H new ATOM 0 HB2 MET A 137 -12.189 -0.853 8.897 1.00 0.00 H new ATOM 0 HB3 MET A 137 -13.618 0.010 9.430 1.00 0.00 H new ATOM 0 HG2 MET A 137 -14.207 -1.696 7.776 1.00 0.00 H new ATOM 0 HG3 MET A 137 -14.571 -0.094 7.165 1.00 0.00 H new ATOM 0 HE1 MET A 137 -13.468 -2.043 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 137 -14.328 -2.744 5.303 1.00 0.00 H new ATOM 0 HE3 MET A 137 -14.767 -1.124 4.711 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.997 3.073 6.872 1.00 0.00 N ATOM 1647 CA TYR A 138 -13.852 4.193 6.471 1.00 0.00 C ATOM 1648 C TYR A 138 -15.280 3.718 6.147 1.00 0.00 C ATOM 1649 O TYR A 138 -16.244 4.269 6.679 1.00 0.00 O ATOM 1650 CB TYR A 138 -13.242 4.945 5.271 1.00 0.00 C ATOM 1651 CG TYR A 138 -11.737 5.119 5.364 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -11.161 5.973 6.300 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -10.889 4.412 4.515 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -9.788 6.113 6.386 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -9.519 4.550 4.598 1.00 0.00 C ATOM 1656 CZ TYR A 138 -8.972 5.399 5.532 1.00 0.00 C ATOM 1657 OH TYR A 138 -7.605 5.530 5.613 1.00 0.00 O ATOM 0 H TYR A 138 -12.133 2.997 6.336 1.00 0.00 H new ATOM 0 HA TYR A 138 -13.913 4.882 7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -13.481 4.405 4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -13.709 5.927 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -11.796 6.535 6.969 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.311 3.744 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.356 6.778 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.877 3.993 3.931 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.272 5.017 6.379 1.00 0.00 H new ATOM 1667 N PRO A 139 -15.446 2.678 5.286 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.766 2.142 4.931 1.00 0.00 C ATOM 1669 C PRO A 139 -17.308 1.170 5.984 1.00 0.00 C ATOM 1670 O PRO A 139 -18.029 0.223 5.655 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.511 1.395 3.602 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.064 1.609 3.274 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.388 1.949 4.571 1.00 0.00 C ATOM 0 HA PRO A 139 -17.512 2.933 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.734 0.333 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.151 1.781 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.628 0.713 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -14.944 2.414 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.070 1.057 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -13.500 2.563 4.420 1.00 0.00 H new ATOM 1681 N GLY A 140 -16.963 1.400 7.244 1.00 0.00 N ATOM 1682 CA GLY A 140 -17.410 0.518 8.307 1.00 0.00 C ATOM 1683 C GLY A 140 -17.266 1.157 9.673 1.00 0.00 C ATOM 1684 O GLY A 140 -16.435 0.736 10.482 1.00 0.00 O ATOM 0 H GLY A 140 -16.382 2.181 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -18.453 0.249 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -16.834 -0.407 8.277 1.00 0.00 H new ATOM 1688 N LYS A 141 -18.082 2.179 9.927 1.00 0.00 N ATOM 1689 CA LYS A 141 -18.026 2.930 11.182 1.00 0.00 C ATOM 1690 C LYS A 141 -18.468 2.064 12.360 1.00 0.00 C ATOM 1691 O LYS A 141 -19.612 1.592 12.408 1.00 0.00 O ATOM 1692 CB LYS A 141 -18.909 4.181 11.087 1.00 0.00 C ATOM 1693 CG LYS A 141 -18.524 5.122 9.947 1.00 0.00 C ATOM 1694 CD LYS A 141 -19.465 6.321 9.859 1.00 0.00 C ATOM 1695 CE LYS A 141 -19.095 7.254 8.711 1.00 0.00 C ATOM 1696 NZ LYS A 141 -20.028 8.408 8.612 1.00 0.00 N ATOM 0 H LYS A 141 -18.795 2.508 9.276 1.00 0.00 H new ATOM 0 HA LYS A 141 -16.993 3.233 11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -19.946 3.873 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -18.854 4.726 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -17.502 5.472 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -18.541 4.576 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -20.488 5.970 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -19.438 6.873 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -18.078 7.620 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -19.105 6.698 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -19.742 9.018 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -20.995 8.060 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -20.000 8.954 9.497 1.00 0.00 H new TER 1710 LYS A 141