USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 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 74 MET CE :methyl -160:sc= -0.578 (180deg=-2.25) USER MOD Set 1.2: A 78 CYS SG : rot -26:sc= 0.262 USER MOD Set 1.3: A 82 ASN : amide:sc= 0.044 K(o=-0.27,f=-2.5!) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0.495 USER MOD Set 2.2: A 94 LYS NZ :NH3+ -157:sc= 0.871 (180deg=0.201) USER MOD Set 3.1: A 13 MET CE :methyl 150:sc= -2.44! (180deg=-3.05!) USER MOD Set 3.2: A 18 HIS : no HE2:sc= -2.31! C(o=-4.8!,f=-7.2!) USER MOD Single : A 1 GLU N :NH3+ -105:sc= 0.0231 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 140:sc= -1.16 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 121:sc= -0.0526 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc=-0.00579 X(o=-0.0058,f=-0.12) USER MOD Single : A 47 MET CE :methyl -169:sc= -1.15 (180deg=-1.43) USER MOD Single : A 49 MET CE :methyl 135:sc= -0.123 (180deg=-1.51) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -62:sc= 0.975 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 26:sc= 0.6 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.4) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc=-0.00272 (180deg=-0.0819) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-1.4) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.119 (180deg=-0.534) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -2.45 K(o=-2.5,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 171.712 -17.945 11.793 1.00 0.00 N ATOM 2 CA GLU A 1 171.991 -17.989 10.332 1.00 0.00 C ATOM 3 C GLU A 1 172.700 -16.720 9.865 1.00 0.00 C ATOM 4 O GLU A 1 172.460 -15.634 10.396 1.00 0.00 O ATOM 5 CB GLU A 1 170.667 -18.154 9.578 1.00 0.00 C ATOM 6 CG GLU A 1 170.843 -18.492 8.105 1.00 0.00 C ATOM 7 CD GLU A 1 171.023 -19.978 7.866 1.00 0.00 C ATOM 8 OE1 GLU A 1 172.176 -20.454 7.938 1.00 0.00 O ATOM 9 OE2 GLU A 1 170.013 -20.665 7.609 1.00 0.00 O ATOM 0 H1 GLU A 1 172.377 -18.569 12.292 1.00 0.00 H new ATOM 0 H2 GLU A 1 171.825 -16.971 12.139 1.00 0.00 H new ATOM 0 H3 GLU A 1 170.738 -18.265 11.970 1.00 0.00 H new ATOM 0 HA GLU A 1 172.649 -18.833 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.082 -18.940 10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.092 -17.232 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.974 -18.141 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.709 -17.957 7.714 1.00 0.00 H new ATOM 18 N GLN A 2 173.566 -16.866 8.864 1.00 0.00 N ATOM 19 CA GLN A 2 174.306 -15.732 8.315 1.00 0.00 C ATOM 20 C GLN A 2 173.358 -14.725 7.665 1.00 0.00 C ATOM 21 O GLN A 2 173.545 -13.514 7.793 1.00 0.00 O ATOM 22 CB GLN A 2 175.340 -16.213 7.293 1.00 0.00 C ATOM 23 CG GLN A 2 176.349 -17.199 7.861 1.00 0.00 C ATOM 24 CD GLN A 2 176.686 -18.314 6.888 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.688 -18.249 6.175 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.848 -19.346 6.852 1.00 0.00 N ATOM 0 H GLN A 2 173.772 -17.759 8.417 1.00 0.00 H new ATOM 0 HA GLN A 2 174.824 -15.238 9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.821 -16.680 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.873 -15.350 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.262 -16.666 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.952 -17.631 8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 2 175.029 -19.360 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 2 176.024 -20.124 6.216 1.00 0.00 H new ATOM 35 N LEU A 3 172.336 -15.234 6.972 1.00 0.00 N ATOM 36 CA LEU A 3 171.353 -14.379 6.307 1.00 0.00 C ATOM 37 C LEU A 3 170.637 -13.480 7.317 1.00 0.00 C ATOM 38 O LEU A 3 170.481 -12.280 7.087 1.00 0.00 O ATOM 39 CB LEU A 3 170.331 -15.230 5.546 1.00 0.00 C ATOM 40 CG LEU A 3 170.804 -15.765 4.190 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.823 -16.797 3.651 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.978 -14.622 3.197 1.00 0.00 C ATOM 0 H LEU A 3 172.169 -16.234 6.858 1.00 0.00 H new ATOM 0 HA LEU A 3 171.884 -13.745 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.048 -16.076 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.432 -14.634 5.389 1.00 0.00 H new ATOM 0 HG LEU A 3 171.770 -16.250 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 170.175 -17.166 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.748 -17.628 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.843 -16.337 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 3 171.314 -15.020 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 3 170.026 -14.109 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.719 -13.919 3.578 1.00 0.00 H new ATOM 54 N LYS A 4 170.211 -14.067 8.441 1.00 0.00 N ATOM 55 CA LYS A 4 169.519 -13.314 9.491 1.00 0.00 C ATOM 56 C LYS A 4 170.421 -12.222 10.065 1.00 0.00 C ATOM 57 O LYS A 4 169.948 -11.143 10.424 1.00 0.00 O ATOM 58 CB LYS A 4 169.066 -14.251 10.617 1.00 0.00 C ATOM 59 CG LYS A 4 167.987 -13.657 11.513 1.00 0.00 C ATOM 60 CD LYS A 4 168.578 -12.761 12.594 1.00 0.00 C ATOM 61 CE LYS A 4 168.193 -13.234 13.989 1.00 0.00 C ATOM 62 NZ LYS A 4 167.090 -12.419 14.577 1.00 0.00 N ATOM 0 H LYS A 4 170.333 -15.059 8.646 1.00 0.00 H new ATOM 0 HA LYS A 4 168.643 -12.846 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 4 168.693 -15.177 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.929 -14.513 11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.287 -13.082 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.418 -14.462 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.664 -12.747 12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.232 -11.738 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 4 167.886 -14.279 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 4 169.065 -13.185 14.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 166.862 -12.777 15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 167.390 -11.426 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 166.248 -12.485 13.970 1.00 0.00 H new ATOM 76 N CYS A 5 171.720 -12.513 10.148 1.00 0.00 N ATOM 77 CA CYS A 5 172.689 -11.558 10.678 1.00 0.00 C ATOM 78 C CYS A 5 172.751 -10.297 9.817 1.00 0.00 C ATOM 79 O CYS A 5 172.924 -9.193 10.336 1.00 0.00 O ATOM 80 CB CYS A 5 174.075 -12.197 10.767 1.00 0.00 C ATOM 81 SG CYS A 5 175.135 -11.476 12.041 1.00 0.00 S ATOM 0 H CYS A 5 172.123 -13.403 9.855 1.00 0.00 H new ATOM 0 HA CYS A 5 172.362 -11.274 11.678 1.00 0.00 H new ATOM 0 HB2 CYS A 5 173.961 -13.263 10.964 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.570 -12.103 9.801 1.00 0.00 H new ATOM 0 HG CYS A 5 175.801 -12.420 12.637 1.00 0.00 H new ATOM 87 N CYS A 6 172.602 -10.467 8.500 1.00 0.00 N ATOM 88 CA CYS A 6 172.633 -9.338 7.570 1.00 0.00 C ATOM 89 C CYS A 6 171.554 -8.316 7.924 1.00 0.00 C ATOM 90 O CYS A 6 171.798 -7.108 7.899 1.00 0.00 O ATOM 91 CB CYS A 6 172.437 -9.820 6.129 1.00 0.00 C ATOM 92 SG CYS A 6 173.892 -10.612 5.404 1.00 0.00 S ATOM 0 H CYS A 6 172.459 -11.374 8.056 1.00 0.00 H new ATOM 0 HA CYS A 6 173.610 -8.861 7.654 1.00 0.00 H new ATOM 0 HB2 CYS A 6 171.605 -10.523 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.154 -8.969 5.509 1.00 0.00 H new ATOM 0 HG CYS A 6 173.623 -10.985 4.188 1.00 0.00 H new ATOM 98 N SER A 7 170.363 -8.813 8.261 1.00 0.00 N ATOM 99 CA SER A 7 169.246 -7.948 8.630 1.00 0.00 C ATOM 100 C SER A 7 169.566 -7.148 9.892 1.00 0.00 C ATOM 101 O SER A 7 169.149 -5.998 10.021 1.00 0.00 O ATOM 102 CB SER A 7 167.974 -8.772 8.843 1.00 0.00 C ATOM 103 OG SER A 7 166.832 -8.072 8.379 1.00 0.00 O ATOM 0 H SER A 7 170.149 -9.810 8.285 1.00 0.00 H new ATOM 0 HA SER A 7 169.081 -7.249 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.060 -9.723 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.859 -9.002 9.902 1.00 0.00 H new ATOM 0 HG SER A 7 166.032 -8.619 8.524 1.00 0.00 H new ATOM 109 N GLY A 8 170.310 -7.760 10.817 1.00 0.00 N ATOM 110 CA GLY A 8 170.671 -7.084 12.053 1.00 0.00 C ATOM 111 C GLY A 8 171.470 -5.816 11.814 1.00 0.00 C ATOM 112 O GLY A 8 171.172 -4.774 12.400 1.00 0.00 O ATOM 0 H GLY A 8 170.668 -8.711 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.765 -6.839 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.252 -7.763 12.677 1.00 0.00 H new ATOM 116 N ILE A 9 172.481 -5.900 10.948 1.00 0.00 N ATOM 117 CA ILE A 9 173.315 -4.742 10.633 1.00 0.00 C ATOM 118 C ILE A 9 172.490 -3.658 9.944 1.00 0.00 C ATOM 119 O ILE A 9 172.550 -2.487 10.319 1.00 0.00 O ATOM 120 CB ILE A 9 174.513 -5.120 9.731 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.268 -6.324 10.309 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.450 -3.930 9.572 1.00 0.00 C ATOM 123 CD1 ILE A 9 175.678 -7.340 9.265 1.00 0.00 C ATOM 0 H ILE A 9 172.740 -6.754 10.455 1.00 0.00 H new ATOM 0 HA ILE A 9 173.704 -4.365 11.579 1.00 0.00 H new ATOM 0 HB ILE A 9 174.131 -5.397 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.158 -5.969 10.828 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.639 -6.813 11.053 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.289 -4.210 8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.910 -3.100 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.823 -3.627 10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.207 -8.163 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 9 174.790 -7.724 8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 9 176.333 -6.866 8.534 1.00 0.00 H new ATOM 135 N LEU A 10 171.706 -4.061 8.944 1.00 0.00 N ATOM 136 CA LEU A 10 170.853 -3.129 8.212 1.00 0.00 C ATOM 137 C LEU A 10 169.790 -2.524 9.134 1.00 0.00 C ATOM 138 O LEU A 10 169.429 -1.355 8.994 1.00 0.00 O ATOM 139 CB LEU A 10 170.187 -3.832 7.023 1.00 0.00 C ATOM 140 CG LEU A 10 170.996 -3.813 5.720 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.814 -5.117 4.954 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.594 -2.623 4.858 1.00 0.00 C ATOM 0 H LEU A 10 171.645 -5.027 8.623 1.00 0.00 H new ATOM 0 HA LEU A 10 171.480 -2.321 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 10 169.992 -4.869 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.220 -3.364 6.839 1.00 0.00 H new ATOM 0 HG LEU A 10 172.051 -3.712 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.396 -5.082 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.155 -5.950 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 10 169.760 -5.253 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.178 -2.626 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.534 -2.692 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 10 170.782 -1.698 5.404 1.00 0.00 H new ATOM 154 N LYS A 11 169.293 -3.332 10.077 1.00 0.00 N ATOM 155 CA LYS A 11 168.269 -2.887 11.024 1.00 0.00 C ATOM 156 C LYS A 11 168.742 -1.682 11.841 1.00 0.00 C ATOM 157 O LYS A 11 167.930 -0.847 12.236 1.00 0.00 O ATOM 158 CB LYS A 11 167.880 -4.036 11.961 1.00 0.00 C ATOM 159 CG LYS A 11 166.732 -3.699 12.904 1.00 0.00 C ATOM 160 CD LYS A 11 166.150 -4.949 13.548 1.00 0.00 C ATOM 161 CE LYS A 11 166.801 -5.243 14.891 1.00 0.00 C ATOM 162 NZ LYS A 11 165.851 -5.890 15.840 1.00 0.00 N ATOM 0 H LYS A 11 169.586 -4.301 10.203 1.00 0.00 H new ATOM 0 HA LYS A 11 167.396 -2.579 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 167.603 -4.903 11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.751 -4.322 12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 11 167.085 -3.020 13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 11 165.950 -3.175 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 11 165.076 -4.822 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.289 -5.800 12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 11 167.664 -5.892 14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 11 167.172 -4.315 15.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 166.333 -6.074 16.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 165.040 -5.260 16.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 165.516 -6.789 15.437 1.00 0.00 H new ATOM 176 N GLU A 12 170.052 -1.589 12.084 1.00 0.00 N ATOM 177 CA GLU A 12 170.615 -0.472 12.849 1.00 0.00 C ATOM 178 C GLU A 12 170.289 0.864 12.186 1.00 0.00 C ATOM 179 O GLU A 12 170.029 1.855 12.872 1.00 0.00 O ATOM 180 CB GLU A 12 172.132 -0.631 12.994 1.00 0.00 C ATOM 181 CG GLU A 12 172.565 -1.118 14.371 1.00 0.00 C ATOM 182 CD GLU A 12 173.223 -2.489 14.342 1.00 0.00 C ATOM 183 OE1 GLU A 12 174.005 -2.760 13.407 1.00 0.00 O ATOM 184 OE2 GLU A 12 172.958 -3.290 15.264 1.00 0.00 O ATOM 0 H GLU A 12 170.740 -2.270 11.764 1.00 0.00 H new ATOM 0 HA GLU A 12 170.163 -0.483 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.489 -1.333 12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.611 0.327 12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.260 -0.398 14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 12 171.695 -1.153 15.027 1.00 0.00 H new ATOM 191 N MET A 13 170.289 0.886 10.853 1.00 0.00 N ATOM 192 CA MET A 13 169.974 2.104 10.110 1.00 0.00 C ATOM 193 C MET A 13 168.582 2.617 10.489 1.00 0.00 C ATOM 194 O MET A 13 168.370 3.823 10.613 1.00 0.00 O ATOM 195 CB MET A 13 170.047 1.849 8.602 1.00 0.00 C ATOM 196 CG MET A 13 171.347 2.315 7.965 1.00 0.00 C ATOM 197 SD MET A 13 172.755 1.283 8.417 1.00 0.00 S ATOM 198 CE MET A 13 174.108 2.240 7.735 1.00 0.00 C ATOM 0 H MET A 13 170.503 0.078 10.269 1.00 0.00 H new ATOM 0 HA MET A 13 170.711 2.863 10.371 1.00 0.00 H new ATOM 0 HB2 MET A 13 169.924 0.782 8.417 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.213 2.355 8.116 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.236 2.315 6.881 1.00 0.00 H new ATOM 0 HG3 MET A 13 171.545 3.344 8.265 1.00 0.00 H new ATOM 0 HE1 MET A 13 175.005 2.079 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.295 1.925 6.708 1.00 0.00 H new ATOM 0 HE3 MET A 13 173.848 3.298 7.749 1.00 0.00 H new ATOM 208 N PHE A 14 167.639 1.688 10.682 1.00 0.00 N ATOM 209 CA PHE A 14 166.269 2.039 11.058 1.00 0.00 C ATOM 210 C PHE A 14 166.014 1.810 12.557 1.00 0.00 C ATOM 211 O PHE A 14 164.892 1.992 13.035 1.00 0.00 O ATOM 212 CB PHE A 14 165.272 1.223 10.232 1.00 0.00 C ATOM 213 CG PHE A 14 164.107 2.027 9.727 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.022 2.292 10.549 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.096 2.517 8.431 1.00 0.00 C ATOM 216 CE1 PHE A 14 161.950 3.030 10.087 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.026 3.257 7.963 1.00 0.00 C ATOM 218 CZ PHE A 14 161.951 3.513 8.792 1.00 0.00 C ATOM 0 H PHE A 14 167.802 0.686 10.583 1.00 0.00 H new ATOM 0 HA PHE A 14 166.132 3.101 10.853 1.00 0.00 H new ATOM 0 HB2 PHE A 14 165.793 0.781 9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 14 164.898 0.399 10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.015 1.917 11.562 1.00 0.00 H new ATOM 0 HD2 PHE A 14 164.933 2.318 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.111 3.230 10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.031 3.634 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 14 161.113 4.089 8.429 1.00 0.00 H new ATOM 228 N ALA A 15 167.055 1.417 13.298 1.00 0.00 N ATOM 229 CA ALA A 15 166.930 1.175 14.736 1.00 0.00 C ATOM 230 C ALA A 15 167.285 2.423 15.549 1.00 0.00 C ATOM 231 O ALA A 15 167.535 2.337 16.753 1.00 0.00 O ATOM 232 CB ALA A 15 167.811 0.005 15.154 1.00 0.00 C ATOM 0 H ALA A 15 167.991 1.260 12.925 1.00 0.00 H new ATOM 0 HA ALA A 15 165.888 0.928 14.942 1.00 0.00 H new ATOM 0 HB1 ALA A 15 167.708 -0.163 16.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.505 -0.892 14.615 1.00 0.00 H new ATOM 0 HB3 ALA A 15 168.851 0.231 14.921 1.00 0.00 H new ATOM 238 N LYS A 16 167.310 3.579 14.881 1.00 0.00 N ATOM 239 CA LYS A 16 167.634 4.854 15.525 1.00 0.00 C ATOM 240 C LYS A 16 169.117 4.928 15.901 1.00 0.00 C ATOM 241 O LYS A 16 169.499 5.656 16.819 1.00 0.00 O ATOM 242 CB LYS A 16 166.756 5.076 16.765 1.00 0.00 C ATOM 243 CG LYS A 16 165.278 4.800 16.522 1.00 0.00 C ATOM 244 CD LYS A 16 164.484 4.798 17.819 1.00 0.00 C ATOM 245 CE LYS A 16 162.991 4.661 17.558 1.00 0.00 C ATOM 246 NZ LYS A 16 162.647 3.347 16.939 1.00 0.00 N ATOM 0 H LYS A 16 167.107 3.658 13.884 1.00 0.00 H new ATOM 0 HA LYS A 16 167.429 5.648 14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.110 4.432 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 16 166.874 6.105 17.104 1.00 0.00 H new ATOM 0 HG2 LYS A 16 164.873 5.556 15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.165 3.837 16.025 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.821 3.977 18.452 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.676 5.721 18.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 162.448 4.772 18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 162.663 5.467 16.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 161.613 3.255 16.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 163.062 3.293 15.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 163.026 2.577 17.526 1.00 0.00 H new ATOM 260 N LYS A 17 169.949 4.177 15.175 1.00 0.00 N ATOM 261 CA LYS A 17 171.391 4.162 15.419 1.00 0.00 C ATOM 262 C LYS A 17 172.155 4.753 14.232 1.00 0.00 C ATOM 263 O LYS A 17 173.200 5.380 14.408 1.00 0.00 O ATOM 264 CB LYS A 17 171.871 2.736 15.696 1.00 0.00 C ATOM 265 CG LYS A 17 171.339 2.157 16.998 1.00 0.00 C ATOM 266 CD LYS A 17 171.506 0.646 17.050 1.00 0.00 C ATOM 267 CE LYS A 17 171.947 0.178 18.429 1.00 0.00 C ATOM 268 NZ LYS A 17 173.400 -0.152 18.469 1.00 0.00 N ATOM 0 H LYS A 17 169.647 3.571 14.412 1.00 0.00 H new ATOM 0 HA LYS A 17 171.590 4.779 16.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 171.567 2.092 14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 17 172.961 2.727 15.722 1.00 0.00 H new ATOM 0 HG2 LYS A 17 171.863 2.610 17.839 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.284 2.411 17.105 1.00 0.00 H new ATOM 0 HD2 LYS A 17 170.564 0.166 16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.241 0.335 16.307 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.732 0.956 19.162 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.368 -0.700 18.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 173.658 -0.466 19.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 173.602 -0.912 17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.955 0.692 18.220 1.00 0.00 H new ATOM 282 N HIS A 18 171.621 4.554 13.024 1.00 0.00 N ATOM 283 CA HIS A 18 172.241 5.070 11.810 1.00 0.00 C ATOM 284 C HIS A 18 171.217 5.796 10.935 1.00 0.00 C ATOM 285 O HIS A 18 171.447 6.000 9.744 1.00 0.00 O ATOM 286 CB HIS A 18 172.879 3.927 11.019 1.00 0.00 C ATOM 287 CG HIS A 18 174.357 3.826 11.212 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.239 4.807 10.812 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.107 2.856 11.778 1.00 0.00 C ATOM 290 CE1 HIS A 18 176.469 4.443 11.126 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.417 3.263 11.717 1.00 0.00 N ATOM 0 H HIS A 18 170.757 4.036 12.865 1.00 0.00 H new ATOM 0 HA HIS A 18 173.012 5.783 12.101 1.00 0.00 H new ATOM 0 HB2 HIS A 18 172.416 2.986 11.316 1.00 0.00 H new ATOM 0 HB3 HIS A 18 172.667 4.066 9.959 1.00 0.00 H new ATOM 0 HD1 HIS A 18 174.982 5.677 10.347 1.00 0.00 H new ATOM 0 HD2 HIS A 18 174.744 1.931 12.201 1.00 0.00 H new ATOM 0 HE1 HIS A 18 177.365 5.013 10.932 1.00 0.00 H new ATOM 300 N ALA A 19 170.088 6.189 11.530 1.00 0.00 N ATOM 301 CA ALA A 19 169.042 6.893 10.794 1.00 0.00 C ATOM 302 C ALA A 19 169.498 8.294 10.406 1.00 0.00 C ATOM 303 O ALA A 19 169.207 8.765 9.309 1.00 0.00 O ATOM 304 CB ALA A 19 167.764 6.966 11.618 1.00 0.00 C ATOM 0 H ALA A 19 169.878 6.031 12.516 1.00 0.00 H new ATOM 0 HA ALA A 19 168.839 6.333 9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 19 166.996 7.494 11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 19 167.419 5.957 11.844 1.00 0.00 H new ATOM 0 HB3 ALA A 19 167.961 7.499 12.548 1.00 0.00 H new ATOM 310 N ALA A 20 170.222 8.951 11.311 1.00 0.00 N ATOM 311 CA ALA A 20 170.725 10.300 11.057 1.00 0.00 C ATOM 312 C ALA A 20 171.817 10.293 9.989 1.00 0.00 C ATOM 313 O ALA A 20 171.926 11.230 9.198 1.00 0.00 O ATOM 314 CB ALA A 20 171.249 10.928 12.342 1.00 0.00 C ATOM 0 H ALA A 20 170.473 8.572 12.224 1.00 0.00 H new ATOM 0 HA ALA A 20 169.893 10.899 10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 20 171.619 11.932 12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.444 10.984 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.060 10.318 12.740 1.00 0.00 H new ATOM 320 N TYR A 21 172.625 9.234 9.971 1.00 0.00 N ATOM 321 CA TYR A 21 173.706 9.115 8.998 1.00 0.00 C ATOM 322 C TYR A 21 173.223 8.485 7.690 1.00 0.00 C ATOM 323 O TYR A 21 173.745 8.799 6.619 1.00 0.00 O ATOM 324 CB TYR A 21 174.859 8.301 9.586 1.00 0.00 C ATOM 325 CG TYR A 21 175.851 9.143 10.357 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.586 10.135 9.720 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.046 8.952 11.718 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.490 10.912 10.418 1.00 0.00 C ATOM 329 CE2 TYR A 21 176.948 9.725 12.424 1.00 0.00 C ATOM 330 CZ TYR A 21 177.667 10.704 11.769 1.00 0.00 C ATOM 331 OH TYR A 21 178.567 11.476 12.468 1.00 0.00 O ATOM 0 H TYR A 21 172.551 8.449 10.618 1.00 0.00 H new ATOM 0 HA TYR A 21 174.059 10.121 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.454 7.533 10.245 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.380 7.785 8.779 1.00 0.00 H new ATOM 0 HD1 TYR A 21 176.448 10.301 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.484 8.187 12.233 1.00 0.00 H new ATOM 0 HE1 TYR A 21 178.055 11.678 9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.089 9.564 13.482 1.00 0.00 H new ATOM 0 HH TYR A 21 178.571 11.203 13.409 1.00 0.00 H new ATOM 341 N ALA A 22 172.226 7.602 7.777 1.00 0.00 N ATOM 342 CA ALA A 22 171.680 6.940 6.592 1.00 0.00 C ATOM 343 C ALA A 22 170.340 7.547 6.162 1.00 0.00 C ATOM 344 O ALA A 22 169.596 6.934 5.392 1.00 0.00 O ATOM 345 CB ALA A 22 171.526 5.445 6.846 1.00 0.00 C ATOM 0 H ALA A 22 171.782 7.330 8.654 1.00 0.00 H new ATOM 0 HA ALA A 22 172.386 7.095 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.119 4.965 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 22 172.500 5.013 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 22 170.849 5.286 7.686 1.00 0.00 H new ATOM 351 N TRP A 23 170.034 8.753 6.649 1.00 0.00 N ATOM 352 CA TRP A 23 168.785 9.425 6.295 1.00 0.00 C ATOM 353 C TRP A 23 168.767 9.786 4.808 1.00 0.00 C ATOM 354 O TRP A 23 167.828 9.433 4.093 1.00 0.00 O ATOM 355 CB TRP A 23 168.585 10.684 7.146 1.00 0.00 C ATOM 356 CG TRP A 23 167.179 10.850 7.647 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.675 10.409 8.837 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.098 11.505 6.972 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.349 10.751 8.944 1.00 0.00 N ATOM 360 CE2 TRP A 23 164.971 11.423 7.811 1.00 0.00 C ATOM 361 CE3 TRP A 23 165.972 12.151 5.738 1.00 0.00 C ATOM 362 CZ2 TRP A 23 163.738 11.967 7.460 1.00 0.00 C ATOM 363 CZ3 TRP A 23 164.747 12.690 5.390 1.00 0.00 C ATOM 364 CH2 TRP A 23 163.645 12.595 6.248 1.00 0.00 C ATOM 0 H TRP A 23 170.632 9.280 7.286 1.00 0.00 H new ATOM 0 HA TRP A 23 167.964 8.736 6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.264 10.649 7.998 1.00 0.00 H new ATOM 0 HB3 TRP A 23 168.858 11.559 6.556 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.237 9.870 9.585 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.744 10.539 9.738 1.00 0.00 H new ATOM 0 HE3 TRP A 23 166.816 12.228 5.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 162.886 11.896 8.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 164.639 13.193 4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 23 162.702 13.026 5.947 1.00 0.00 H new ATOM 375 N PRO A 24 169.809 10.492 4.317 1.00 0.00 N ATOM 376 CA PRO A 24 169.904 10.888 2.913 1.00 0.00 C ATOM 377 C PRO A 24 170.591 9.834 2.036 1.00 0.00 C ATOM 378 O PRO A 24 171.052 10.142 0.935 1.00 0.00 O ATOM 379 CB PRO A 24 170.753 12.152 2.996 1.00 0.00 C ATOM 380 CG PRO A 24 171.685 11.908 4.138 1.00 0.00 C ATOM 381 CD PRO A 24 170.981 10.963 5.086 1.00 0.00 C ATOM 0 HA PRO A 24 168.926 11.023 2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.299 12.324 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.135 13.033 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.622 11.475 3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 24 171.934 12.843 4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.627 10.134 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 24 170.680 11.469 6.003 1.00 0.00 H new ATOM 389 N PHE A 25 170.657 8.594 2.527 1.00 0.00 N ATOM 390 CA PHE A 25 171.289 7.507 1.784 1.00 0.00 C ATOM 391 C PHE A 25 170.549 6.187 2.011 1.00 0.00 C ATOM 392 O PHE A 25 171.109 5.230 2.550 1.00 0.00 O ATOM 393 CB PHE A 25 172.760 7.374 2.193 1.00 0.00 C ATOM 394 CG PHE A 25 173.630 6.766 1.127 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.808 7.405 -0.090 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.269 5.555 1.344 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.608 6.848 -1.071 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.069 4.995 0.367 1.00 0.00 C ATOM 399 CZ PHE A 25 175.239 5.642 -0.841 1.00 0.00 C ATOM 0 H PHE A 25 170.280 8.320 3.435 1.00 0.00 H new ATOM 0 HA PHE A 25 171.239 7.743 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.148 8.360 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 25 172.824 6.764 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.316 8.349 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 25 174.140 5.044 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.739 7.356 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 25 175.562 4.051 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 25 175.865 5.205 -1.605 1.00 0.00 H new ATOM 409 N TYR A 26 169.285 6.146 1.591 1.00 0.00 N ATOM 410 CA TYR A 26 168.460 4.947 1.739 1.00 0.00 C ATOM 411 C TYR A 26 167.828 4.553 0.404 1.00 0.00 C ATOM 412 O TYR A 26 167.991 3.422 -0.058 1.00 0.00 O ATOM 413 CB TYR A 26 167.370 5.173 2.794 1.00 0.00 C ATOM 414 CG TYR A 26 167.036 3.934 3.599 1.00 0.00 C ATOM 415 CD1 TYR A 26 166.307 2.892 3.037 1.00 0.00 C ATOM 416 CD2 TYR A 26 167.452 3.806 4.919 1.00 0.00 C ATOM 417 CE1 TYR A 26 166.002 1.759 3.768 1.00 0.00 C ATOM 418 CE2 TYR A 26 167.151 2.676 5.656 1.00 0.00 C ATOM 419 CZ TYR A 26 166.426 1.656 5.076 1.00 0.00 C ATOM 420 OH TYR A 26 166.124 0.528 5.806 1.00 0.00 O ATOM 0 H TYR A 26 168.809 6.930 1.145 1.00 0.00 H new ATOM 0 HA TYR A 26 169.104 4.132 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.693 5.961 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.466 5.529 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 26 165.974 2.969 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 26 168.020 4.603 5.376 1.00 0.00 H new ATOM 0 HE1 TYR A 26 165.434 0.959 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 26 167.482 2.592 6.681 1.00 0.00 H new ATOM 0 HH TYR A 26 166.496 0.613 6.708 1.00 0.00 H new ATOM 430 N LYS A 27 167.110 5.494 -0.213 1.00 0.00 N ATOM 431 CA LYS A 27 166.456 5.247 -1.497 1.00 0.00 C ATOM 432 C LYS A 27 167.457 5.348 -2.652 1.00 0.00 C ATOM 433 O LYS A 27 168.500 5.993 -2.523 1.00 0.00 O ATOM 434 CB LYS A 27 165.312 6.244 -1.712 1.00 0.00 C ATOM 435 CG LYS A 27 164.096 5.985 -0.833 1.00 0.00 C ATOM 436 CD LYS A 27 163.276 7.252 -0.631 1.00 0.00 C ATOM 437 CE LYS A 27 161.781 6.962 -0.628 1.00 0.00 C ATOM 438 NZ LYS A 27 160.980 8.161 -1.010 1.00 0.00 N ATOM 0 H LYS A 27 166.968 6.434 0.157 1.00 0.00 H new ATOM 0 HA LYS A 27 166.051 4.235 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.680 7.252 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.006 6.211 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 27 163.473 5.216 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.420 5.601 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 27 163.557 7.721 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.507 7.965 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.568 6.148 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 27 161.479 6.625 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 159.968 7.921 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 161.163 8.930 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 161.250 8.468 -1.966 1.00 0.00 H new ATOM 452 N PRO A 28 167.149 4.709 -3.800 1.00 0.00 N ATOM 453 CA PRO A 28 168.026 4.728 -4.982 1.00 0.00 C ATOM 454 C PRO A 28 168.116 6.111 -5.629 1.00 0.00 C ATOM 455 O PRO A 28 167.535 7.080 -5.133 1.00 0.00 O ATOM 456 CB PRO A 28 167.357 3.733 -5.936 1.00 0.00 C ATOM 457 CG PRO A 28 165.926 3.715 -5.524 1.00 0.00 C ATOM 458 CD PRO A 28 165.925 3.917 -4.036 1.00 0.00 C ATOM 0 HA PRO A 28 169.054 4.473 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.466 4.046 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.805 2.743 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.365 4.503 -6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.454 2.769 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.033 4.447 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.951 2.968 -3.501 1.00 0.00 H new ATOM 466 N VAL A 29 168.848 6.195 -6.741 1.00 0.00 N ATOM 467 CA VAL A 29 169.015 7.457 -7.456 1.00 0.00 C ATOM 468 C VAL A 29 167.928 7.647 -8.515 1.00 0.00 C ATOM 469 O VAL A 29 168.158 7.439 -9.709 1.00 0.00 O ATOM 470 CB VAL A 29 170.412 7.563 -8.110 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.484 7.721 -7.042 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.704 6.354 -8.992 1.00 0.00 C ATOM 0 H VAL A 29 169.333 5.404 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 29 168.922 8.252 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 29 170.421 8.447 -8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.462 7.794 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.292 8.625 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.467 6.856 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.693 6.459 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.672 5.447 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.956 6.291 -9.782 1.00 0.00 H new ATOM 482 N ASP A 30 166.739 8.050 -8.061 1.00 0.00 N ATOM 483 CA ASP A 30 165.600 8.280 -8.951 1.00 0.00 C ATOM 484 C ASP A 30 165.923 9.364 -9.980 1.00 0.00 C ATOM 485 O ASP A 30 165.828 10.555 -9.687 1.00 0.00 O ATOM 486 CB ASP A 30 164.370 8.691 -8.134 1.00 0.00 C ATOM 487 CG ASP A 30 163.498 7.511 -7.750 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.998 6.602 -7.054 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.312 7.499 -8.142 1.00 0.00 O ATOM 0 H ASP A 30 166.540 8.225 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 30 165.388 7.351 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.695 9.206 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.778 9.402 -8.710 1.00 0.00 H new ATOM 494 N VAL A 31 166.314 8.945 -11.182 1.00 0.00 N ATOM 495 CA VAL A 31 166.659 9.890 -12.243 1.00 0.00 C ATOM 496 C VAL A 31 165.468 10.775 -12.625 1.00 0.00 C ATOM 497 O VAL A 31 165.636 11.969 -12.870 1.00 0.00 O ATOM 498 CB VAL A 31 167.202 9.164 -13.497 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.158 8.228 -14.092 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.683 10.168 -14.535 1.00 0.00 C ATOM 0 H VAL A 31 166.400 7.963 -11.445 1.00 0.00 H new ATOM 0 HA VAL A 31 167.447 10.530 -11.846 1.00 0.00 H new ATOM 0 HB VAL A 31 168.053 8.557 -13.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.571 7.734 -14.971 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.878 7.478 -13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.277 8.801 -14.379 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.061 9.636 -15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.854 10.810 -14.832 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.480 10.778 -14.109 1.00 0.00 H new ATOM 510 N GLU A 32 164.269 10.190 -12.674 1.00 0.00 N ATOM 511 CA GLU A 32 163.062 10.941 -13.023 1.00 0.00 C ATOM 512 C GLU A 32 162.637 11.884 -11.894 1.00 0.00 C ATOM 513 O GLU A 32 162.324 13.050 -12.137 1.00 0.00 O ATOM 514 CB GLU A 32 161.915 9.986 -13.367 1.00 0.00 C ATOM 515 CG GLU A 32 161.966 9.479 -14.800 1.00 0.00 C ATOM 516 CD GLU A 32 160.950 8.387 -15.077 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.925 7.390 -14.324 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.182 8.527 -16.052 1.00 0.00 O ATOM 0 H GLU A 32 164.109 9.202 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 32 163.297 11.547 -13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.943 9.135 -12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.965 10.495 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 32 161.791 10.312 -15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 32 162.966 9.100 -15.010 1.00 0.00 H new ATOM 525 N ALA A 33 162.615 11.369 -10.662 1.00 0.00 N ATOM 526 CA ALA A 33 162.211 12.165 -9.501 1.00 0.00 C ATOM 527 C ALA A 33 163.267 13.202 -9.116 1.00 0.00 C ATOM 528 O ALA A 33 162.943 14.369 -8.896 1.00 0.00 O ATOM 529 CB ALA A 33 161.910 11.260 -8.312 1.00 0.00 C ATOM 0 H ALA A 33 162.872 10.406 -10.443 1.00 0.00 H new ATOM 0 HA ALA A 33 161.307 12.705 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.611 11.868 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.102 10.576 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.801 10.688 -8.056 1.00 0.00 H new ATOM 535 N LEU A 34 164.525 12.771 -9.024 1.00 0.00 N ATOM 536 CA LEU A 34 165.616 13.672 -8.649 1.00 0.00 C ATOM 537 C LEU A 34 166.114 14.497 -9.837 1.00 0.00 C ATOM 538 O LEU A 34 166.726 15.549 -9.649 1.00 0.00 O ATOM 539 CB LEU A 34 166.784 12.879 -8.055 1.00 0.00 C ATOM 540 CG LEU A 34 166.431 11.981 -6.866 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.485 10.899 -6.688 1.00 0.00 C ATOM 542 CD2 LEU A 34 166.293 12.809 -5.595 1.00 0.00 C ATOM 0 H LEU A 34 164.813 11.809 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 34 165.219 14.360 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.217 12.260 -8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.556 13.582 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 34 165.474 11.500 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.220 10.269 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.537 10.289 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.455 11.362 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 34 166.042 12.155 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 167.235 13.317 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 34 165.503 13.549 -5.727 1.00 0.00 H new ATOM 554 N GLY A 35 165.856 14.019 -11.056 1.00 0.00 N ATOM 555 CA GLY A 35 166.296 14.735 -12.242 1.00 0.00 C ATOM 556 C GLY A 35 167.801 14.683 -12.421 1.00 0.00 C ATOM 557 O GLY A 35 168.457 15.724 -12.476 1.00 0.00 O ATOM 0 H GLY A 35 165.352 13.152 -11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.813 14.309 -13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.976 15.775 -12.175 1.00 0.00 H new ATOM 561 N LEU A 36 168.351 13.471 -12.508 1.00 0.00 N ATOM 562 CA LEU A 36 169.793 13.297 -12.676 1.00 0.00 C ATOM 563 C LEU A 36 170.110 12.355 -13.839 1.00 0.00 C ATOM 564 O LEU A 36 170.474 11.195 -13.635 1.00 0.00 O ATOM 565 CB LEU A 36 170.436 12.778 -11.380 1.00 0.00 C ATOM 566 CG LEU A 36 169.606 11.767 -10.578 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.935 10.342 -10.999 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.848 11.950 -9.086 1.00 0.00 C ATOM 0 H LEU A 36 167.822 12.600 -12.465 1.00 0.00 H new ATOM 0 HA LEU A 36 170.216 14.275 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.391 12.317 -11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.653 13.632 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 36 168.551 11.948 -10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.335 9.643 -10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.714 10.215 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.993 10.146 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.253 11.226 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.905 11.796 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.560 12.959 -8.792 1.00 0.00 H new ATOM 580 N HIS A 37 169.983 12.865 -15.063 1.00 0.00 N ATOM 581 CA HIS A 37 170.270 12.070 -16.257 1.00 0.00 C ATOM 582 C HIS A 37 171.778 11.911 -16.477 1.00 0.00 C ATOM 583 O HIS A 37 172.204 11.156 -17.354 1.00 0.00 O ATOM 584 CB HIS A 37 169.623 12.702 -17.492 1.00 0.00 C ATOM 585 CG HIS A 37 168.127 12.660 -17.467 1.00 0.00 C ATOM 586 ND1 HIS A 37 167.357 13.607 -16.824 1.00 0.00 N ATOM 587 CD2 HIS A 37 167.256 11.773 -18.005 1.00 0.00 C ATOM 588 CE1 HIS A 37 166.079 13.303 -16.966 1.00 0.00 C ATOM 589 NE2 HIS A 37 165.991 12.196 -17.680 1.00 0.00 N ATOM 0 H HIS A 37 169.684 13.821 -15.254 1.00 0.00 H new ATOM 0 HA HIS A 37 169.845 11.078 -16.101 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.949 13.739 -17.573 1.00 0.00 H new ATOM 0 HB3 HIS A 37 169.979 12.186 -18.384 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.510 10.896 -18.582 1.00 0.00 H new ATOM 0 HE1 HIS A 37 165.248 13.865 -16.566 1.00 0.00 H new ATOM 0 HE2 HIS A 37 165.124 11.730 -17.947 1.00 0.00 H new ATOM 598 N ASP A 38 172.586 12.615 -15.675 1.00 0.00 N ATOM 599 CA ASP A 38 174.040 12.533 -15.789 1.00 0.00 C ATOM 600 C ASP A 38 174.571 11.234 -15.179 1.00 0.00 C ATOM 601 O ASP A 38 175.682 10.807 -15.494 1.00 0.00 O ATOM 602 CB ASP A 38 174.700 13.732 -15.098 1.00 0.00 C ATOM 603 CG ASP A 38 174.738 14.970 -15.976 1.00 0.00 C ATOM 604 OD1 ASP A 38 173.692 15.316 -16.566 1.00 0.00 O ATOM 605 OD2 ASP A 38 175.814 15.598 -16.069 1.00 0.00 O ATOM 0 H ASP A 38 172.255 13.245 -14.944 1.00 0.00 H new ATOM 0 HA ASP A 38 174.289 12.545 -16.850 1.00 0.00 H new ATOM 0 HB2 ASP A 38 174.158 13.960 -14.180 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.717 13.465 -14.810 1.00 0.00 H new ATOM 610 N TYR A 39 173.771 10.605 -14.312 1.00 0.00 N ATOM 611 CA TYR A 39 174.168 9.353 -13.672 1.00 0.00 C ATOM 612 C TYR A 39 174.482 8.283 -14.716 1.00 0.00 C ATOM 613 O TYR A 39 175.458 7.550 -14.581 1.00 0.00 O ATOM 614 CB TYR A 39 173.067 8.856 -12.734 1.00 0.00 C ATOM 615 CG TYR A 39 173.529 8.666 -11.307 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.141 7.485 -10.905 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.351 9.668 -10.361 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.562 7.309 -9.601 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.768 9.498 -9.056 1.00 0.00 C ATOM 620 CZ TYR A 39 174.374 8.317 -8.681 1.00 0.00 C ATOM 621 OH TYR A 39 174.789 8.142 -7.380 1.00 0.00 O ATOM 0 H TYR A 39 172.848 10.943 -14.040 1.00 0.00 H new ATOM 0 HA TYR A 39 175.069 9.546 -13.090 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.241 9.567 -12.748 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.680 7.909 -13.111 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.290 6.692 -11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.879 10.595 -10.651 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.036 6.385 -9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.620 10.286 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 39 175.441 8.836 -7.148 1.00 0.00 H new ATOM 631 N CYS A 40 173.652 8.206 -15.760 1.00 0.00 N ATOM 632 CA CYS A 40 173.852 7.229 -16.832 1.00 0.00 C ATOM 633 C CYS A 40 175.169 7.486 -17.566 1.00 0.00 C ATOM 634 O CYS A 40 175.846 6.547 -17.987 1.00 0.00 O ATOM 635 CB CYS A 40 172.686 7.278 -17.824 1.00 0.00 C ATOM 636 SG CYS A 40 172.446 5.749 -18.758 1.00 0.00 S ATOM 0 H CYS A 40 172.837 8.807 -15.885 1.00 0.00 H new ATOM 0 HA CYS A 40 173.894 6.238 -16.380 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.770 7.506 -17.280 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.853 8.096 -18.524 1.00 0.00 H new ATOM 0 HG CYS A 40 171.438 5.888 -19.567 1.00 0.00 H new ATOM 642 N ASP A 41 175.525 8.764 -17.713 1.00 0.00 N ATOM 643 CA ASP A 41 176.761 9.144 -18.393 1.00 0.00 C ATOM 644 C ASP A 41 177.984 8.841 -17.526 1.00 0.00 C ATOM 645 O ASP A 41 178.999 8.351 -18.023 1.00 0.00 O ATOM 646 CB ASP A 41 176.737 10.634 -18.755 1.00 0.00 C ATOM 647 CG ASP A 41 177.494 10.934 -20.036 1.00 0.00 C ATOM 648 OD1 ASP A 41 178.719 10.687 -20.076 1.00 0.00 O ATOM 649 OD2 ASP A 41 176.863 11.416 -20.999 1.00 0.00 O ATOM 0 H ASP A 41 174.974 9.551 -17.370 1.00 0.00 H new ATOM 0 HA ASP A 41 176.832 8.555 -19.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.703 10.962 -18.863 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.170 11.210 -17.937 1.00 0.00 H new ATOM 654 N ILE A 42 177.884 9.140 -16.229 1.00 0.00 N ATOM 655 CA ILE A 42 178.987 8.905 -15.297 1.00 0.00 C ATOM 656 C ILE A 42 179.048 7.444 -14.847 1.00 0.00 C ATOM 657 O ILE A 42 180.037 6.753 -15.097 1.00 0.00 O ATOM 658 CB ILE A 42 178.882 9.810 -14.046 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.659 11.271 -14.449 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.137 9.682 -13.191 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.089 12.122 -13.335 1.00 0.00 C ATOM 0 H ILE A 42 177.051 9.545 -15.801 1.00 0.00 H new ATOM 0 HA ILE A 42 179.900 9.150 -15.840 1.00 0.00 H new ATOM 0 HB ILE A 42 178.024 9.482 -13.459 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.607 11.699 -14.774 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.984 11.305 -15.304 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.048 10.325 -12.315 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.255 8.647 -12.871 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.007 9.983 -13.775 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.957 13.144 -13.689 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.125 11.718 -13.025 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.774 12.118 -12.487 1.00 0.00 H new ATOM 673 N ILE A 43 177.993 6.983 -14.174 1.00 0.00 N ATOM 674 CA ILE A 43 177.936 5.608 -13.677 1.00 0.00 C ATOM 675 C ILE A 43 177.160 4.699 -14.629 1.00 0.00 C ATOM 676 O ILE A 43 176.010 4.978 -14.971 1.00 0.00 O ATOM 677 CB ILE A 43 177.285 5.537 -12.277 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.902 6.578 -11.334 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.429 4.138 -11.693 1.00 0.00 C ATOM 680 CD1 ILE A 43 179.365 6.333 -11.026 1.00 0.00 C ATOM 0 H ILE A 43 177.167 7.542 -13.961 1.00 0.00 H new ATOM 0 HA ILE A 43 178.967 5.262 -13.611 1.00 0.00 H new ATOM 0 HB ILE A 43 176.224 5.762 -12.384 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.795 7.567 -11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 43 177.340 6.587 -10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.965 4.106 -10.707 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.939 3.418 -12.348 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.486 3.888 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.730 7.109 -10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 43 179.479 5.359 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.940 6.354 -11.952 1.00 0.00 H new ATOM 692 N LYS A 44 177.795 3.604 -15.046 1.00 0.00 N ATOM 693 CA LYS A 44 177.162 2.645 -15.953 1.00 0.00 C ATOM 694 C LYS A 44 176.282 1.651 -15.191 1.00 0.00 C ATOM 695 O LYS A 44 175.241 1.225 -15.695 1.00 0.00 O ATOM 696 CB LYS A 44 178.219 1.891 -16.769 1.00 0.00 C ATOM 697 CG LYS A 44 179.272 1.190 -15.923 1.00 0.00 C ATOM 698 CD LYS A 44 180.117 0.242 -16.759 1.00 0.00 C ATOM 699 CE LYS A 44 181.440 -0.073 -16.078 1.00 0.00 C ATOM 700 NZ LYS A 44 182.545 0.796 -16.575 1.00 0.00 N ATOM 0 H LYS A 44 178.746 3.358 -14.771 1.00 0.00 H new ATOM 0 HA LYS A 44 176.526 3.210 -16.634 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.720 1.152 -17.395 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.715 2.593 -17.439 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.915 1.933 -15.452 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.786 0.635 -15.121 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.566 -0.683 -16.931 1.00 0.00 H new ATOM 0 HD3 LYS A 44 180.306 0.687 -17.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.333 0.057 -15.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.696 -1.119 -16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 183.428 0.548 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 182.665 0.654 -17.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 182.313 1.793 -16.389 1.00 0.00 H new ATOM 714 N HIS A 45 176.705 1.281 -13.981 1.00 0.00 N ATOM 715 CA HIS A 45 175.952 0.335 -13.159 1.00 0.00 C ATOM 716 C HIS A 45 175.893 0.798 -11.700 1.00 0.00 C ATOM 717 O HIS A 45 176.555 0.228 -10.829 1.00 0.00 O ATOM 718 CB HIS A 45 176.585 -1.058 -13.250 1.00 0.00 C ATOM 719 CG HIS A 45 175.608 -2.180 -13.067 1.00 0.00 C ATOM 720 ND1 HIS A 45 174.474 -2.328 -13.840 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.603 -3.218 -12.195 1.00 0.00 C ATOM 722 CE1 HIS A 45 173.816 -3.407 -13.451 1.00 0.00 C ATOM 723 NE2 HIS A 45 174.480 -3.964 -12.456 1.00 0.00 N ATOM 0 H HIS A 45 177.564 1.622 -13.550 1.00 0.00 H new ATOM 0 HA HIS A 45 174.931 0.289 -13.539 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.068 -1.164 -14.221 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.366 -1.142 -12.494 1.00 0.00 H new ATOM 0 HD2 HIS A 45 176.344 -3.421 -11.436 1.00 0.00 H new ATOM 0 HE1 HIS A 45 172.892 -3.771 -13.876 1.00 0.00 H new ATOM 0 HE2 HIS A 45 174.204 -4.812 -11.961 1.00 0.00 H new ATOM 732 N PRO A 46 175.095 1.845 -11.414 1.00 0.00 N ATOM 733 CA PRO A 46 174.949 2.387 -10.057 1.00 0.00 C ATOM 734 C PRO A 46 174.115 1.479 -9.153 1.00 0.00 C ATOM 735 O PRO A 46 173.360 0.632 -9.635 1.00 0.00 O ATOM 736 CB PRO A 46 174.235 3.721 -10.288 1.00 0.00 C ATOM 737 CG PRO A 46 173.459 3.519 -11.544 1.00 0.00 C ATOM 738 CD PRO A 46 174.274 2.584 -12.395 1.00 0.00 C ATOM 0 HA PRO A 46 175.908 2.483 -9.549 1.00 0.00 H new ATOM 0 HB2 PRO A 46 173.580 3.970 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 174.947 4.540 -10.389 1.00 0.00 H new ATOM 0 HG2 PRO A 46 172.477 3.096 -11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 46 173.293 4.467 -12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.639 1.912 -12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.894 3.128 -13.107 1.00 0.00 H new ATOM 746 N MET A 47 174.259 1.659 -7.839 1.00 0.00 N ATOM 747 CA MET A 47 173.522 0.853 -6.867 1.00 0.00 C ATOM 748 C MET A 47 173.257 1.637 -5.582 1.00 0.00 C ATOM 749 O MET A 47 173.891 2.661 -5.325 1.00 0.00 O ATOM 750 CB MET A 47 174.295 -0.429 -6.545 1.00 0.00 C ATOM 751 CG MET A 47 173.941 -1.594 -7.454 1.00 0.00 C ATOM 752 SD MET A 47 174.458 -3.183 -6.780 1.00 0.00 S ATOM 753 CE MET A 47 173.299 -3.371 -5.428 1.00 0.00 C ATOM 0 H MET A 47 174.879 2.355 -7.425 1.00 0.00 H new ATOM 0 HA MET A 47 172.561 0.592 -7.311 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.364 -0.229 -6.623 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.099 -0.712 -5.511 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.864 -1.607 -7.619 1.00 0.00 H new ATOM 0 HG3 MET A 47 174.410 -1.446 -8.427 1.00 0.00 H new ATOM 0 HE1 MET A 47 173.609 -4.203 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.277 -2.455 -4.838 1.00 0.00 H new ATOM 0 HE3 MET A 47 172.304 -3.570 -5.827 1.00 0.00 H new ATOM 763 N ASP A 48 172.314 1.144 -4.779 1.00 0.00 N ATOM 764 CA ASP A 48 171.958 1.789 -3.517 1.00 0.00 C ATOM 765 C ASP A 48 171.511 0.758 -2.481 1.00 0.00 C ATOM 766 O ASP A 48 171.338 -0.420 -2.803 1.00 0.00 O ATOM 767 CB ASP A 48 170.843 2.816 -3.742 1.00 0.00 C ATOM 768 CG ASP A 48 171.077 4.103 -2.977 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.812 4.125 -1.756 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.526 5.089 -3.598 1.00 0.00 O ATOM 0 H ASP A 48 171.782 0.298 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 48 172.844 2.298 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.768 3.038 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.889 2.385 -3.438 1.00 0.00 H new ATOM 775 N MET A 49 171.314 1.211 -1.240 1.00 0.00 N ATOM 776 CA MET A 49 170.872 0.328 -0.157 1.00 0.00 C ATOM 777 C MET A 49 169.589 -0.405 -0.546 1.00 0.00 C ATOM 778 O MET A 49 169.410 -1.579 -0.216 1.00 0.00 O ATOM 779 CB MET A 49 170.644 1.126 1.132 1.00 0.00 C ATOM 780 CG MET A 49 170.983 0.351 2.397 1.00 0.00 C ATOM 781 SD MET A 49 170.435 1.190 3.897 1.00 0.00 S ATOM 782 CE MET A 49 171.669 2.481 4.040 1.00 0.00 C ATOM 0 H MET A 49 171.453 2.182 -0.960 1.00 0.00 H new ATOM 0 HA MET A 49 171.657 -0.408 0.018 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.247 2.033 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.601 1.438 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 49 170.522 -0.635 2.348 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.061 0.197 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 49 171.181 3.427 4.274 1.00 0.00 H new ATOM 0 HE2 MET A 49 172.370 2.228 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 49 172.208 2.575 3.097 1.00 0.00 H new ATOM 792 N SER A 50 168.703 0.295 -1.258 1.00 0.00 N ATOM 793 CA SER A 50 167.439 -0.284 -1.707 1.00 0.00 C ATOM 794 C SER A 50 167.685 -1.441 -2.676 1.00 0.00 C ATOM 795 O SER A 50 167.053 -2.492 -2.572 1.00 0.00 O ATOM 796 CB SER A 50 166.573 0.787 -2.379 1.00 0.00 C ATOM 797 OG SER A 50 165.354 0.241 -2.859 1.00 0.00 O ATOM 0 H SER A 50 168.840 1.267 -1.536 1.00 0.00 H new ATOM 0 HA SER A 50 166.913 -0.670 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.361 1.585 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.123 1.236 -3.206 1.00 0.00 H new ATOM 0 HG SER A 50 164.823 0.948 -3.281 1.00 0.00 H new ATOM 803 N THR A 51 168.610 -1.238 -3.618 1.00 0.00 N ATOM 804 CA THR A 51 168.942 -2.264 -4.607 1.00 0.00 C ATOM 805 C THR A 51 169.554 -3.496 -3.938 1.00 0.00 C ATOM 806 O THR A 51 169.274 -4.628 -4.334 1.00 0.00 O ATOM 807 CB THR A 51 169.907 -1.708 -5.662 1.00 0.00 C ATOM 808 OG1 THR A 51 169.589 -0.363 -5.984 1.00 0.00 O ATOM 809 CG2 THR A 51 169.902 -2.505 -6.951 1.00 0.00 C ATOM 0 H THR A 51 169.141 -0.373 -3.716 1.00 0.00 H new ATOM 0 HA THR A 51 168.016 -2.562 -5.098 1.00 0.00 H new ATOM 0 HB THR A 51 170.897 -1.777 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 51 170.219 -0.030 -6.657 1.00 0.00 H new ATOM 0 HG21 THR A 51 170.605 -2.061 -7.656 1.00 0.00 H new ATOM 0 HG22 THR A 51 170.197 -3.534 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.901 -2.494 -7.382 1.00 0.00 H new ATOM 817 N ILE A 52 170.388 -3.270 -2.923 1.00 0.00 N ATOM 818 CA ILE A 52 171.030 -4.367 -2.204 1.00 0.00 C ATOM 819 C ILE A 52 170.010 -5.145 -1.372 1.00 0.00 C ATOM 820 O ILE A 52 170.003 -6.376 -1.375 1.00 0.00 O ATOM 821 CB ILE A 52 172.162 -3.860 -1.279 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.138 -2.969 -2.055 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.902 -5.033 -0.648 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.874 -1.973 -1.184 1.00 0.00 C ATOM 0 H ILE A 52 170.633 -2.340 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 52 171.464 -5.027 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 52 171.712 -3.265 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.866 -3.600 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.589 -2.428 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.695 -4.657 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 52 172.205 -5.629 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 52 173.337 -5.653 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.547 -1.377 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.155 -1.317 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.451 -2.507 -0.429 1.00 0.00 H new ATOM 836 N LYS A 53 169.143 -4.422 -0.665 1.00 0.00 N ATOM 837 CA LYS A 53 168.123 -5.057 0.163 1.00 0.00 C ATOM 838 C LYS A 53 167.093 -5.793 -0.693 1.00 0.00 C ATOM 839 O LYS A 53 166.607 -6.851 -0.302 1.00 0.00 O ATOM 840 CB LYS A 53 167.426 -4.022 1.051 1.00 0.00 C ATOM 841 CG LYS A 53 168.122 -3.801 2.387 1.00 0.00 C ATOM 842 CD LYS A 53 167.264 -4.272 3.552 1.00 0.00 C ATOM 843 CE LYS A 53 166.685 -3.098 4.330 1.00 0.00 C ATOM 844 NZ LYS A 53 165.379 -3.435 4.965 1.00 0.00 N ATOM 0 H LYS A 53 169.127 -3.402 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 53 168.622 -5.788 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.373 -3.073 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.400 -4.343 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 53 169.072 -4.335 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.350 -2.742 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.453 -4.897 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 53 167.863 -4.892 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.393 -2.789 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.553 -2.249 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.021 -2.608 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.695 -3.705 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.508 -4.228 5.625 1.00 0.00 H new ATOM 858 N SER A 54 166.761 -5.231 -1.859 1.00 0.00 N ATOM 859 CA SER A 54 165.785 -5.846 -2.757 1.00 0.00 C ATOM 860 C SER A 54 166.205 -7.265 -3.152 1.00 0.00 C ATOM 861 O SER A 54 165.379 -8.180 -3.163 1.00 0.00 O ATOM 862 CB SER A 54 165.587 -4.977 -4.005 1.00 0.00 C ATOM 863 OG SER A 54 166.610 -5.198 -4.964 1.00 0.00 O ATOM 0 H SER A 54 167.154 -4.354 -2.201 1.00 0.00 H new ATOM 0 HA SER A 54 164.837 -5.917 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.617 -5.195 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.577 -3.925 -3.719 1.00 0.00 H new ATOM 0 HG SER A 54 167.477 -4.946 -4.582 1.00 0.00 H new ATOM 869 N LYS A 55 167.492 -7.450 -3.464 1.00 0.00 N ATOM 870 CA LYS A 55 168.004 -8.767 -3.841 1.00 0.00 C ATOM 871 C LYS A 55 167.826 -9.749 -2.684 1.00 0.00 C ATOM 872 O LYS A 55 167.305 -10.849 -2.865 1.00 0.00 O ATOM 873 CB LYS A 55 169.482 -8.682 -4.239 1.00 0.00 C ATOM 874 CG LYS A 55 169.706 -8.408 -5.720 1.00 0.00 C ATOM 875 CD LYS A 55 170.307 -9.612 -6.430 1.00 0.00 C ATOM 876 CE LYS A 55 170.252 -9.456 -7.944 1.00 0.00 C ATOM 877 NZ LYS A 55 171.553 -9.789 -8.594 1.00 0.00 N ATOM 0 H LYS A 55 168.192 -6.708 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 55 167.437 -9.124 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.960 -7.894 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.974 -9.618 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.758 -8.145 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 55 170.368 -7.550 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 55 171.342 -9.742 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.769 -10.514 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.472 -10.102 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.976 -8.431 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.468 -9.668 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 172.294 -9.156 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.805 -10.775 -8.381 1.00 0.00 H new ATOM 891 N LEU A 56 168.249 -9.329 -1.492 1.00 0.00 N ATOM 892 CA LEU A 56 168.128 -10.151 -0.290 1.00 0.00 C ATOM 893 C LEU A 56 166.652 -10.357 0.080 1.00 0.00 C ATOM 894 O LEU A 56 166.276 -11.410 0.597 1.00 0.00 O ATOM 895 CB LEU A 56 168.891 -9.491 0.868 1.00 0.00 C ATOM 896 CG LEU A 56 168.658 -10.092 2.259 1.00 0.00 C ATOM 897 CD1 LEU A 56 169.875 -10.891 2.706 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.341 -8.996 3.268 1.00 0.00 C ATOM 0 H LEU A 56 168.681 -8.419 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 56 168.564 -11.131 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.957 -9.539 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.620 -8.436 0.900 1.00 0.00 H new ATOM 0 HG LEU A 56 167.804 -10.767 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 56 169.692 -11.310 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 56 170.060 -11.699 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 56 170.746 -10.236 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.179 -9.441 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.176 -8.297 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.442 -8.465 2.957 1.00 0.00 H new ATOM 910 N GLU A 57 165.822 -9.344 -0.196 1.00 0.00 N ATOM 911 CA GLU A 57 164.387 -9.404 0.101 1.00 0.00 C ATOM 912 C GLU A 57 163.710 -10.554 -0.642 1.00 0.00 C ATOM 913 O GLU A 57 162.864 -11.250 -0.081 1.00 0.00 O ATOM 914 CB GLU A 57 163.706 -8.084 -0.276 1.00 0.00 C ATOM 915 CG GLU A 57 163.936 -6.974 0.735 1.00 0.00 C ATOM 916 CD GLU A 57 162.648 -6.457 1.349 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.838 -7.284 1.821 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.451 -5.224 1.362 1.00 0.00 O ATOM 0 H GLU A 57 166.122 -8.469 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 57 164.283 -9.575 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 57 164.073 -7.760 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.634 -8.254 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.588 -7.341 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.457 -6.149 0.249 1.00 0.00 H new ATOM 925 N ALA A 58 164.085 -10.747 -1.907 1.00 0.00 N ATOM 926 CA ALA A 58 163.508 -11.814 -2.724 1.00 0.00 C ATOM 927 C ALA A 58 164.319 -13.113 -2.625 1.00 0.00 C ATOM 928 O ALA A 58 164.154 -14.014 -3.449 1.00 0.00 O ATOM 929 CB ALA A 58 163.402 -11.362 -4.174 1.00 0.00 C ATOM 0 H ALA A 58 164.784 -10.180 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 58 162.510 -12.024 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.971 -12.163 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 58 162.764 -10.480 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 164.395 -11.118 -4.553 1.00 0.00 H new ATOM 935 N ARG A 59 165.199 -13.203 -1.620 1.00 0.00 N ATOM 936 CA ARG A 59 166.037 -14.387 -1.422 1.00 0.00 C ATOM 937 C ARG A 59 166.916 -14.661 -2.649 1.00 0.00 C ATOM 938 O ARG A 59 167.306 -15.802 -2.899 1.00 0.00 O ATOM 939 CB ARG A 59 165.173 -15.615 -1.095 1.00 0.00 C ATOM 940 CG ARG A 59 165.180 -15.988 0.381 1.00 0.00 C ATOM 941 CD ARG A 59 165.716 -17.396 0.604 1.00 0.00 C ATOM 942 NE ARG A 59 166.152 -17.610 1.984 1.00 0.00 N ATOM 943 CZ ARG A 59 166.961 -18.602 2.369 1.00 0.00 C ATOM 944 NH1 ARG A 59 167.431 -19.477 1.482 1.00 0.00 N ATOM 945 NH2 ARG A 59 167.301 -18.721 3.648 1.00 0.00 N ATOM 0 H ARG A 59 165.348 -12.466 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 59 166.695 -14.189 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 59 164.147 -15.421 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 59 165.528 -16.465 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 59 165.791 -15.274 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 59 164.168 -15.917 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 59 164.942 -18.121 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 59 166.553 -17.576 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 59 165.818 -16.962 2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 59 167.174 -19.394 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 59 168.048 -20.230 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 59 166.945 -18.056 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 59 167.918 -19.477 3.943 1.00 0.00 H new ATOM 959 N GLU A 60 167.239 -13.603 -3.400 1.00 0.00 N ATOM 960 CA GLU A 60 168.084 -13.733 -4.586 1.00 0.00 C ATOM 961 C GLU A 60 169.551 -13.897 -4.188 1.00 0.00 C ATOM 962 O GLU A 60 170.308 -14.603 -4.858 1.00 0.00 O ATOM 963 CB GLU A 60 167.924 -12.516 -5.503 1.00 0.00 C ATOM 964 CG GLU A 60 166.708 -12.588 -6.415 1.00 0.00 C ATOM 965 CD GLU A 60 167.055 -12.323 -7.868 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.572 -13.245 -8.533 1.00 0.00 O ATOM 967 OE2 GLU A 60 166.815 -11.191 -8.339 1.00 0.00 O ATOM 0 H GLU A 60 166.928 -12.651 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 60 167.766 -14.623 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.853 -11.618 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.820 -12.414 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 60 166.250 -13.573 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.966 -11.862 -6.084 1.00 0.00 H new ATOM 974 N TYR A 61 169.944 -13.248 -3.089 1.00 0.00 N ATOM 975 CA TYR A 61 171.316 -13.331 -2.595 1.00 0.00 C ATOM 976 C TYR A 61 171.633 -14.747 -2.125 1.00 0.00 C ATOM 977 O TYR A 61 171.213 -15.165 -1.044 1.00 0.00 O ATOM 978 CB TYR A 61 171.537 -12.334 -1.452 1.00 0.00 C ATOM 979 CG TYR A 61 172.120 -11.010 -1.899 1.00 0.00 C ATOM 980 CD1 TYR A 61 173.282 -10.959 -2.663 1.00 0.00 C ATOM 981 CD2 TYR A 61 171.511 -9.810 -1.554 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.816 -9.751 -3.068 1.00 0.00 C ATOM 983 CE2 TYR A 61 172.042 -8.601 -1.955 1.00 0.00 C ATOM 984 CZ TYR A 61 173.192 -8.575 -2.711 1.00 0.00 C ATOM 985 OH TYR A 61 173.723 -7.370 -3.108 1.00 0.00 O ATOM 0 H TYR A 61 169.330 -12.660 -2.526 1.00 0.00 H new ATOM 0 HA TYR A 61 171.989 -13.078 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 61 170.585 -12.151 -0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 61 172.203 -12.783 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 61 173.774 -11.878 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 61 170.607 -9.823 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 61 174.718 -9.728 -3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.556 -7.677 -1.676 1.00 0.00 H new ATOM 0 HH TYR A 61 174.247 -7.497 -3.927 1.00 0.00 H new ATOM 995 N ARG A 62 172.377 -15.480 -2.954 1.00 0.00 N ATOM 996 CA ARG A 62 172.760 -16.854 -2.640 1.00 0.00 C ATOM 997 C ARG A 62 173.490 -16.927 -1.299 1.00 0.00 C ATOM 998 O ARG A 62 173.382 -17.922 -0.580 1.00 0.00 O ATOM 999 CB ARG A 62 173.647 -17.427 -3.750 1.00 0.00 C ATOM 1000 CG ARG A 62 173.083 -18.687 -4.391 1.00 0.00 C ATOM 1001 CD ARG A 62 173.467 -18.795 -5.861 1.00 0.00 C ATOM 1002 NE ARG A 62 174.237 -20.008 -6.140 1.00 0.00 N ATOM 1003 CZ ARG A 62 173.696 -21.223 -6.284 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.381 -21.396 -6.164 1.00 0.00 N ATOM 1005 NH2 ARG A 62 174.474 -22.269 -6.546 1.00 0.00 N ATOM 0 H ARG A 62 172.727 -15.142 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 62 171.849 -17.449 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 173.786 -16.669 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 62 174.632 -17.648 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 62 173.449 -19.563 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 62 171.997 -18.687 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 62 172.565 -18.790 -6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 62 174.051 -17.921 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 62 175.249 -19.922 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 62 171.778 -20.599 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 171.977 -22.326 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 62 175.482 -22.145 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 62 174.063 -23.196 -6.656 1.00 0.00 H new ATOM 1019 N ASP A 63 174.229 -15.866 -0.966 1.00 0.00 N ATOM 1020 CA ASP A 63 174.973 -15.810 0.292 1.00 0.00 C ATOM 1021 C ASP A 63 175.466 -14.391 0.582 1.00 0.00 C ATOM 1022 O ASP A 63 175.218 -13.467 -0.195 1.00 0.00 O ATOM 1023 CB ASP A 63 176.163 -16.783 0.256 1.00 0.00 C ATOM 1024 CG ASP A 63 177.018 -16.638 -0.994 1.00 0.00 C ATOM 1025 OD1 ASP A 63 177.175 -15.500 -1.488 1.00 0.00 O ATOM 1026 OD2 ASP A 63 177.533 -17.667 -1.478 1.00 0.00 O ATOM 0 H ASP A 63 174.327 -15.036 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 63 174.295 -16.106 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 63 176.786 -16.618 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.790 -17.805 0.317 1.00 0.00 H new ATOM 1031 N ALA A 64 176.178 -14.234 1.702 1.00 0.00 N ATOM 1032 CA ALA A 64 176.725 -12.936 2.096 1.00 0.00 C ATOM 1033 C ALA A 64 177.906 -12.538 1.206 1.00 0.00 C ATOM 1034 O ALA A 64 178.306 -11.372 1.182 1.00 0.00 O ATOM 1035 CB ALA A 64 177.146 -12.956 3.560 1.00 0.00 C ATOM 0 H ALA A 64 176.388 -14.992 2.351 1.00 0.00 H new ATOM 0 HA ALA A 64 175.941 -12.190 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.551 -11.982 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.281 -13.179 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.908 -13.721 3.709 1.00 0.00 H new ATOM 1041 N GLN A 65 178.454 -13.510 0.467 1.00 0.00 N ATOM 1042 CA GLN A 65 179.578 -13.254 -0.430 1.00 0.00 C ATOM 1043 C GLN A 65 179.170 -12.272 -1.525 1.00 0.00 C ATOM 1044 O GLN A 65 179.890 -11.314 -1.810 1.00 0.00 O ATOM 1045 CB GLN A 65 180.071 -14.565 -1.054 1.00 0.00 C ATOM 1046 CG GLN A 65 181.582 -14.654 -1.183 1.00 0.00 C ATOM 1047 CD GLN A 65 182.085 -16.084 -1.125 1.00 0.00 C ATOM 1048 OE1 GLN A 65 182.610 -16.529 -0.104 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.925 -16.813 -2.224 1.00 0.00 N ATOM 0 H GLN A 65 178.135 -14.479 0.475 1.00 0.00 H new ATOM 0 HA GLN A 65 180.390 -12.815 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.718 -15.400 -0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.624 -14.676 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.891 -14.201 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 65 182.047 -14.076 -0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.484 -16.404 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 65 182.243 -17.782 -2.244 1.00 0.00 H new ATOM 1058 N GLU A 66 178.001 -12.507 -2.122 1.00 0.00 N ATOM 1059 CA GLU A 66 177.484 -11.633 -3.174 1.00 0.00 C ATOM 1060 C GLU A 66 177.060 -10.279 -2.596 1.00 0.00 C ATOM 1061 O GLU A 66 177.228 -9.242 -3.240 1.00 0.00 O ATOM 1062 CB GLU A 66 176.295 -12.292 -3.880 1.00 0.00 C ATOM 1063 CG GLU A 66 176.694 -13.373 -4.875 1.00 0.00 C ATOM 1064 CD GLU A 66 175.556 -14.327 -5.202 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.397 -13.866 -5.309 1.00 0.00 O ATOM 1066 OE2 GLU A 66 175.824 -15.537 -5.353 1.00 0.00 O ATOM 0 H GLU A 66 177.395 -13.295 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 66 178.281 -11.469 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.635 -12.727 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 175.723 -11.525 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 66 177.042 -12.902 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 66 177.532 -13.941 -4.470 1.00 0.00 H new ATOM 1073 N PHE A 67 176.511 -10.299 -1.377 1.00 0.00 N ATOM 1074 CA PHE A 67 176.062 -9.076 -0.708 1.00 0.00 C ATOM 1075 C PHE A 67 177.222 -8.100 -0.517 1.00 0.00 C ATOM 1076 O PHE A 67 177.139 -6.940 -0.923 1.00 0.00 O ATOM 1077 CB PHE A 67 175.431 -9.415 0.647 1.00 0.00 C ATOM 1078 CG PHE A 67 174.682 -8.272 1.282 1.00 0.00 C ATOM 1079 CD1 PHE A 67 175.365 -7.222 1.879 1.00 0.00 C ATOM 1080 CD2 PHE A 67 173.296 -8.254 1.289 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.678 -6.177 2.469 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.605 -7.211 1.877 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.297 -6.171 2.468 1.00 0.00 C ATOM 0 H PHE A 67 176.367 -11.150 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 67 175.313 -8.598 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.748 -10.255 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 67 176.215 -9.744 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.445 -7.221 1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.749 -9.064 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.221 -5.366 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.525 -7.209 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 67 172.759 -5.355 2.928 1.00 0.00 H new ATOM 1093 N GLY A 68 178.303 -8.580 0.100 1.00 0.00 N ATOM 1094 CA GLY A 68 179.469 -7.742 0.332 1.00 0.00 C ATOM 1095 C GLY A 68 180.106 -7.257 -0.959 1.00 0.00 C ATOM 1096 O GLY A 68 180.660 -6.157 -1.008 1.00 0.00 O ATOM 0 H GLY A 68 178.391 -9.536 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 68 179.179 -6.882 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 68 180.206 -8.302 0.908 1.00 0.00 H new ATOM 1100 N ALA A 69 180.025 -8.081 -2.007 1.00 0.00 N ATOM 1101 CA ALA A 69 180.592 -7.741 -3.311 1.00 0.00 C ATOM 1102 C ALA A 69 179.923 -6.499 -3.904 1.00 0.00 C ATOM 1103 O ALA A 69 180.599 -5.629 -4.457 1.00 0.00 O ATOM 1104 CB ALA A 69 180.463 -8.921 -4.268 1.00 0.00 C ATOM 0 H ALA A 69 179.569 -8.993 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 69 181.649 -7.515 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.889 -8.654 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.997 -9.780 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 69 179.410 -9.175 -4.393 1.00 0.00 H new ATOM 1110 N ASP A 70 178.596 -6.420 -3.785 1.00 0.00 N ATOM 1111 CA ASP A 70 177.845 -5.281 -4.313 1.00 0.00 C ATOM 1112 C ASP A 70 178.113 -4.011 -3.504 1.00 0.00 C ATOM 1113 O ASP A 70 178.163 -2.915 -4.065 1.00 0.00 O ATOM 1114 CB ASP A 70 176.343 -5.585 -4.338 1.00 0.00 C ATOM 1115 CG ASP A 70 175.917 -6.289 -5.614 1.00 0.00 C ATOM 1116 OD1 ASP A 70 176.199 -5.759 -6.709 1.00 0.00 O ATOM 1117 OD2 ASP A 70 175.302 -7.370 -5.518 1.00 0.00 O ATOM 0 H ASP A 70 178.022 -7.129 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 70 178.186 -5.110 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 70 176.086 -6.207 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.785 -4.654 -4.236 1.00 0.00 H new ATOM 1122 N VAL A 71 178.297 -4.158 -2.191 1.00 0.00 N ATOM 1123 CA VAL A 71 178.572 -3.006 -1.335 1.00 0.00 C ATOM 1124 C VAL A 71 179.898 -2.359 -1.729 1.00 0.00 C ATOM 1125 O VAL A 71 179.978 -1.142 -1.902 1.00 0.00 O ATOM 1126 CB VAL A 71 178.619 -3.386 0.163 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.821 -2.145 1.021 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.354 -4.128 0.579 1.00 0.00 C ATOM 0 H VAL A 71 178.261 -5.053 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 71 177.753 -2.302 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 71 179.466 -4.055 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.852 -2.431 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.760 -1.663 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.996 -1.451 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.413 -4.383 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.486 -3.492 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.257 -5.040 -0.010 1.00 0.00 H new ATOM 1138 N ARG A 72 180.934 -3.186 -1.882 1.00 0.00 N ATOM 1139 CA ARG A 72 182.255 -2.700 -2.271 1.00 0.00 C ATOM 1140 C ARG A 72 182.218 -2.106 -3.682 1.00 0.00 C ATOM 1141 O ARG A 72 182.845 -1.078 -3.944 1.00 0.00 O ATOM 1142 CB ARG A 72 183.284 -3.834 -2.198 1.00 0.00 C ATOM 1143 CG ARG A 72 183.918 -3.989 -0.823 1.00 0.00 C ATOM 1144 CD ARG A 72 184.599 -5.342 -0.664 1.00 0.00 C ATOM 1145 NE ARG A 72 184.057 -6.101 0.465 1.00 0.00 N ATOM 1146 CZ ARG A 72 184.682 -7.130 1.048 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.868 -7.541 0.606 1.00 0.00 N ATOM 1148 NH2 ARG A 72 184.116 -7.753 2.076 1.00 0.00 N ATOM 0 H ARG A 72 180.882 -4.195 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 72 182.550 -1.915 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.801 -4.771 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 72 184.068 -3.651 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 72 184.648 -3.194 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 72 183.153 -3.874 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.477 -5.919 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 72 185.669 -5.194 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 72 183.145 -5.828 0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 72 186.309 -7.070 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 186.336 -8.327 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 72 183.206 -7.447 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.592 -8.538 2.521 1.00 0.00 H new ATOM 1162 N LEU A 73 181.473 -2.754 -4.583 1.00 0.00 N ATOM 1163 CA LEU A 73 181.348 -2.284 -5.963 1.00 0.00 C ATOM 1164 C LEU A 73 180.707 -0.898 -6.007 1.00 0.00 C ATOM 1165 O LEU A 73 181.214 0.010 -6.670 1.00 0.00 O ATOM 1166 CB LEU A 73 180.509 -3.272 -6.786 1.00 0.00 C ATOM 1167 CG LEU A 73 180.459 -3.002 -8.294 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.238 -4.298 -9.061 1.00 0.00 C ATOM 1169 CD2 LEU A 73 179.366 -1.993 -8.626 1.00 0.00 C ATOM 0 H LEU A 73 180.948 -3.605 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 73 182.348 -2.219 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.903 -4.276 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 73 179.490 -3.265 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 73 181.417 -2.580 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.205 -4.087 -10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.055 -4.988 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.295 -4.748 -8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 73 179.348 -1.816 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 178.400 -2.385 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 179.567 -1.055 -8.108 1.00 0.00 H new ATOM 1181 N MET A 74 179.593 -0.743 -5.290 1.00 0.00 N ATOM 1182 CA MET A 74 178.879 0.530 -5.237 1.00 0.00 C ATOM 1183 C MET A 74 179.755 1.628 -4.639 1.00 0.00 C ATOM 1184 O MET A 74 179.761 2.757 -5.129 1.00 0.00 O ATOM 1185 CB MET A 74 177.593 0.388 -4.419 1.00 0.00 C ATOM 1186 CG MET A 74 176.630 1.553 -4.585 1.00 0.00 C ATOM 1187 SD MET A 74 175.965 2.135 -3.013 1.00 0.00 S ATOM 1188 CE MET A 74 177.217 3.322 -2.535 1.00 0.00 C ATOM 0 H MET A 74 179.166 -1.486 -4.737 1.00 0.00 H new ATOM 0 HA MET A 74 178.623 0.811 -6.259 1.00 0.00 H new ATOM 0 HB2 MET A 74 177.088 -0.533 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.853 0.290 -3.365 1.00 0.00 H new ATOM 0 HG2 MET A 74 177.143 2.375 -5.084 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.808 1.250 -5.233 1.00 0.00 H new ATOM 0 HE1 MET A 74 177.155 3.504 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 74 178.204 2.929 -2.780 1.00 0.00 H new ATOM 0 HE3 MET A 74 177.056 4.257 -3.071 1.00 0.00 H new ATOM 1198 N PHE A 75 180.494 1.290 -3.579 1.00 0.00 N ATOM 1199 CA PHE A 75 181.375 2.253 -2.918 1.00 0.00 C ATOM 1200 C PHE A 75 182.395 2.824 -3.901 1.00 0.00 C ATOM 1201 O PHE A 75 182.676 4.023 -3.885 1.00 0.00 O ATOM 1202 CB PHE A 75 182.099 1.602 -1.735 1.00 0.00 C ATOM 1203 CG PHE A 75 182.125 2.461 -0.500 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.013 2.551 0.322 1.00 0.00 C ATOM 1205 CD2 PHE A 75 183.262 3.181 -0.163 1.00 0.00 C ATOM 1206 CE1 PHE A 75 181.033 3.341 1.456 1.00 0.00 C ATOM 1207 CE2 PHE A 75 183.287 3.972 0.970 1.00 0.00 C ATOM 1208 CZ PHE A 75 182.172 4.052 1.780 1.00 0.00 C ATOM 0 H PHE A 75 180.499 0.359 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 75 180.756 3.069 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.614 0.655 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 75 183.123 1.371 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.120 1.997 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 75 184.137 3.123 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 75 180.159 3.402 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 75 184.178 4.527 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 75 182.190 4.670 2.666 1.00 0.00 H new ATOM 1218 N SER A 76 182.942 1.959 -4.760 1.00 0.00 N ATOM 1219 CA SER A 76 183.926 2.381 -5.755 1.00 0.00 C ATOM 1220 C SER A 76 183.314 3.382 -6.734 1.00 0.00 C ATOM 1221 O SER A 76 183.934 4.393 -7.067 1.00 0.00 O ATOM 1222 CB SER A 76 184.477 1.172 -6.520 1.00 0.00 C ATOM 1223 OG SER A 76 185.635 0.653 -5.888 1.00 0.00 O ATOM 0 H SER A 76 182.719 0.964 -4.785 1.00 0.00 H new ATOM 0 HA SER A 76 184.747 2.866 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.713 0.397 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 76 184.717 1.463 -7.543 1.00 0.00 H new ATOM 0 HG SER A 76 185.966 -0.118 -6.394 1.00 0.00 H new ATOM 1229 N ASN A 77 182.092 3.098 -7.188 1.00 0.00 N ATOM 1230 CA ASN A 77 181.398 3.980 -8.125 1.00 0.00 C ATOM 1231 C ASN A 77 180.955 5.268 -7.437 1.00 0.00 C ATOM 1232 O ASN A 77 181.086 6.357 -7.999 1.00 0.00 O ATOM 1233 CB ASN A 77 180.188 3.269 -8.737 1.00 0.00 C ATOM 1234 CG ASN A 77 180.559 2.423 -9.944 1.00 0.00 C ATOM 1235 OD1 ASN A 77 181.737 2.249 -10.257 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.553 1.890 -10.631 1.00 0.00 N ATOM 0 H ASN A 77 181.565 2.266 -6.922 1.00 0.00 H new ATOM 0 HA ASN A 77 182.096 4.237 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.723 2.635 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.446 4.011 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.744 1.313 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.590 2.058 -10.339 1.00 0.00 H new ATOM 1243 N CYS A 78 180.434 5.137 -6.216 1.00 0.00 N ATOM 1244 CA CYS A 78 179.976 6.292 -5.446 1.00 0.00 C ATOM 1245 C CYS A 78 181.117 7.277 -5.205 1.00 0.00 C ATOM 1246 O CYS A 78 180.910 8.490 -5.220 1.00 0.00 O ATOM 1247 CB CYS A 78 179.381 5.845 -4.109 1.00 0.00 C ATOM 1248 SG CYS A 78 178.227 7.032 -3.381 1.00 0.00 S ATOM 0 H CYS A 78 180.319 4.242 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 78 179.203 6.795 -6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.866 4.895 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.193 5.665 -3.404 1.00 0.00 H new ATOM 0 HG CYS A 78 178.511 8.228 -3.803 1.00 0.00 H new ATOM 1254 N TYR A 79 182.323 6.749 -4.988 1.00 0.00 N ATOM 1255 CA TYR A 79 183.498 7.587 -4.749 1.00 0.00 C ATOM 1256 C TYR A 79 183.771 8.507 -5.940 1.00 0.00 C ATOM 1257 O TYR A 79 184.166 9.659 -5.763 1.00 0.00 O ATOM 1258 CB TYR A 79 184.725 6.715 -4.464 1.00 0.00 C ATOM 1259 CG TYR A 79 185.857 7.457 -3.786 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.846 7.680 -2.414 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.940 7.930 -4.517 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.880 8.353 -1.791 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.977 8.604 -3.902 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.943 8.813 -2.540 1.00 0.00 C ATOM 1265 OH TYR A 79 188.976 9.483 -1.922 1.00 0.00 O ATOM 0 H TYR A 79 182.511 5.747 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 79 183.295 8.210 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.425 5.876 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 79 185.088 6.297 -5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.015 7.321 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.971 7.768 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.856 8.518 -0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.811 8.966 -4.486 1.00 0.00 H new ATOM 0 HH TYR A 79 189.646 9.739 -2.590 1.00 0.00 H new ATOM 1275 N LYS A 80 183.551 7.995 -7.152 1.00 0.00 N ATOM 1276 CA LYS A 80 183.766 8.780 -8.367 1.00 0.00 C ATOM 1277 C LYS A 80 182.706 9.874 -8.508 1.00 0.00 C ATOM 1278 O LYS A 80 183.012 10.993 -8.923 1.00 0.00 O ATOM 1279 CB LYS A 80 183.751 7.870 -9.599 1.00 0.00 C ATOM 1280 CG LYS A 80 184.188 8.567 -10.880 1.00 0.00 C ATOM 1281 CD LYS A 80 184.362 7.580 -12.025 1.00 0.00 C ATOM 1282 CE LYS A 80 185.645 7.840 -12.804 1.00 0.00 C ATOM 1283 NZ LYS A 80 186.862 7.506 -12.010 1.00 0.00 N ATOM 0 H LYS A 80 183.225 7.043 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 80 184.743 9.258 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.406 7.018 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.744 7.475 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.448 9.318 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.127 9.093 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 80 184.376 6.564 -11.631 1.00 0.00 H new ATOM 0 HD3 LYS A 80 183.507 7.649 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 80 185.638 7.250 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 80 185.682 8.888 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 187.682 7.435 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 187.033 8.252 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 186.721 6.597 -11.524 1.00 0.00 H new ATOM 1297 N TYR A 81 181.459 9.545 -8.161 1.00 0.00 N ATOM 1298 CA TYR A 81 180.356 10.503 -8.249 1.00 0.00 C ATOM 1299 C TYR A 81 180.418 11.534 -7.116 1.00 0.00 C ATOM 1300 O TYR A 81 180.032 12.689 -7.304 1.00 0.00 O ATOM 1301 CB TYR A 81 179.009 9.771 -8.217 1.00 0.00 C ATOM 1302 CG TYR A 81 177.822 10.660 -8.533 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.627 11.164 -9.813 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.898 10.993 -7.550 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.545 11.973 -10.105 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.813 11.800 -7.834 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.642 12.288 -9.112 1.00 0.00 C ATOM 1308 OH TYR A 81 174.562 13.091 -9.399 1.00 0.00 O ATOM 0 H TYR A 81 181.189 8.623 -7.817 1.00 0.00 H new ATOM 0 HA TYR A 81 180.453 11.034 -9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.036 8.949 -8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.869 9.331 -7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 81 178.333 10.919 -10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.030 10.615 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.408 12.356 -11.105 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.103 12.047 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 81 174.023 13.215 -8.590 1.00 0.00 H new ATOM 1318 N ASN A 82 180.898 11.111 -5.944 1.00 0.00 N ATOM 1319 CA ASN A 82 181.002 12.000 -4.785 1.00 0.00 C ATOM 1320 C ASN A 82 182.339 12.744 -4.779 1.00 0.00 C ATOM 1321 O ASN A 82 183.393 12.135 -4.582 1.00 0.00 O ATOM 1322 CB ASN A 82 180.847 11.203 -3.484 1.00 0.00 C ATOM 1323 CG ASN A 82 179.424 10.720 -3.258 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.742 10.299 -4.194 1.00 0.00 O ATOM 1325 ND2 ASN A 82 178.967 10.775 -2.010 1.00 0.00 N ATOM 0 H ASN A 82 181.221 10.159 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 82 180.199 12.733 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.518 10.345 -3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.153 11.825 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.019 10.462 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 82 179.564 11.130 -1.263 1.00 0.00 H new ATOM 1332 N PRO A 83 182.315 14.077 -4.995 1.00 0.00 N ATOM 1333 CA PRO A 83 183.531 14.904 -5.015 1.00 0.00 C ATOM 1334 C PRO A 83 184.317 14.823 -3.705 1.00 0.00 C ATOM 1335 O PRO A 83 183.728 14.761 -2.626 1.00 0.00 O ATOM 1336 CB PRO A 83 183.003 16.328 -5.227 1.00 0.00 C ATOM 1337 CG PRO A 83 181.646 16.155 -5.817 1.00 0.00 C ATOM 1338 CD PRO A 83 181.102 14.880 -5.238 1.00 0.00 C ATOM 0 HA PRO A 83 184.225 14.573 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.957 16.875 -4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 83 183.653 16.894 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.003 17.000 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 83 181.698 16.099 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.547 15.060 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.421 14.382 -5.928 1.00 0.00 H new ATOM 1346 N PRO A 84 185.665 14.823 -3.784 1.00 0.00 N ATOM 1347 CA PRO A 84 186.536 14.748 -2.599 1.00 0.00 C ATOM 1348 C PRO A 84 186.294 15.895 -1.618 1.00 0.00 C ATOM 1349 O PRO A 84 185.880 16.986 -2.015 1.00 0.00 O ATOM 1350 CB PRO A 84 187.951 14.840 -3.178 1.00 0.00 C ATOM 1351 CG PRO A 84 187.813 14.437 -4.605 1.00 0.00 C ATOM 1352 CD PRO A 84 186.447 14.893 -5.032 1.00 0.00 C ATOM 0 HA PRO A 84 186.352 13.838 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.348 15.851 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.638 14.181 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 84 188.588 14.898 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.917 13.358 -4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 84 186.468 15.904 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 84 186.030 14.248 -5.805 1.00 0.00 H new ATOM 1360 N ASP A 85 186.558 15.637 -0.333 1.00 0.00 N ATOM 1361 CA ASP A 85 186.375 16.639 0.719 1.00 0.00 C ATOM 1362 C ASP A 85 184.920 17.117 0.777 1.00 0.00 C ATOM 1363 O ASP A 85 184.646 18.319 0.754 1.00 0.00 O ATOM 1364 CB ASP A 85 187.324 17.826 0.497 1.00 0.00 C ATOM 1365 CG ASP A 85 187.861 18.397 1.797 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.314 17.608 2.653 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.834 19.636 1.957 1.00 0.00 O ATOM 0 H ASP A 85 186.901 14.737 0.004 1.00 0.00 H new ATOM 0 HA ASP A 85 186.614 16.175 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.159 17.507 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.798 18.609 -0.049 1.00 0.00 H new ATOM 1372 N HIS A 86 183.991 16.164 0.847 1.00 0.00 N ATOM 1373 CA HIS A 86 182.565 16.477 0.902 1.00 0.00 C ATOM 1374 C HIS A 86 181.891 15.752 2.065 1.00 0.00 C ATOM 1375 O HIS A 86 182.264 14.628 2.406 1.00 0.00 O ATOM 1376 CB HIS A 86 181.897 16.083 -0.418 1.00 0.00 C ATOM 1377 CG HIS A 86 180.736 16.949 -0.803 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.953 16.697 -1.909 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.225 18.066 -0.231 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.013 17.618 -2.002 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.155 18.461 -0.996 1.00 0.00 N ATOM 0 H HIS A 86 184.202 15.166 0.867 1.00 0.00 H new ATOM 0 HA HIS A 86 182.453 17.550 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.641 16.118 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.557 15.050 -0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 86 180.591 18.554 0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 86 178.256 17.673 -2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 86 178.566 19.274 -0.816 1.00 0.00 H new ATOM 1390 N GLU A 87 180.891 16.400 2.668 1.00 0.00 N ATOM 1391 CA GLU A 87 180.159 15.814 3.791 1.00 0.00 C ATOM 1392 C GLU A 87 179.558 14.463 3.408 1.00 0.00 C ATOM 1393 O GLU A 87 179.582 13.518 4.199 1.00 0.00 O ATOM 1394 CB GLU A 87 179.048 16.759 4.259 1.00 0.00 C ATOM 1395 CG GLU A 87 179.453 17.652 5.423 1.00 0.00 C ATOM 1396 CD GLU A 87 179.040 19.097 5.218 1.00 0.00 C ATOM 1397 OE1 GLU A 87 177.866 19.423 5.494 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.890 19.901 4.782 1.00 0.00 O ATOM 0 H GLU A 87 180.571 17.330 2.397 1.00 0.00 H new ATOM 0 HA GLU A 87 180.866 15.662 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.740 17.386 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.180 16.168 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.001 17.275 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.534 17.602 5.556 1.00 0.00 H new ATOM 1405 N VAL A 88 179.022 14.377 2.189 1.00 0.00 N ATOM 1406 CA VAL A 88 178.418 13.138 1.701 1.00 0.00 C ATOM 1407 C VAL A 88 179.447 12.007 1.632 1.00 0.00 C ATOM 1408 O VAL A 88 179.124 10.849 1.903 1.00 0.00 O ATOM 1409 CB VAL A 88 177.770 13.320 0.309 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.577 14.263 0.393 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.786 13.823 -0.711 1.00 0.00 C ATOM 0 H VAL A 88 178.994 15.150 1.524 1.00 0.00 H new ATOM 0 HA VAL A 88 177.639 12.874 2.416 1.00 0.00 H new ATOM 0 HB VAL A 88 177.416 12.345 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.134 14.379 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.835 13.851 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.907 15.235 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.301 13.941 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.184 14.784 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.600 13.104 -0.798 1.00 0.00 H new ATOM 1421 N VAL A 89 180.686 12.350 1.273 1.00 0.00 N ATOM 1422 CA VAL A 89 181.760 11.363 1.175 1.00 0.00 C ATOM 1423 C VAL A 89 182.091 10.784 2.550 1.00 0.00 C ATOM 1424 O VAL A 89 182.214 9.568 2.707 1.00 0.00 O ATOM 1425 CB VAL A 89 183.040 11.970 0.559 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.087 10.890 0.324 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.724 12.705 -0.737 1.00 0.00 C ATOM 0 H VAL A 89 180.969 13.303 1.046 1.00 0.00 H new ATOM 0 HA VAL A 89 181.402 10.569 0.520 1.00 0.00 H new ATOM 0 HB VAL A 89 183.446 12.693 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.981 11.338 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.342 10.418 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.689 10.140 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.641 13.123 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.287 12.009 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.017 13.510 -0.536 1.00 0.00 H new ATOM 1437 N ALA A 90 182.229 11.664 3.544 1.00 0.00 N ATOM 1438 CA ALA A 90 182.538 11.242 4.909 1.00 0.00 C ATOM 1439 C ALA A 90 181.431 10.351 5.471 1.00 0.00 C ATOM 1440 O ALA A 90 181.704 9.395 6.200 1.00 0.00 O ATOM 1441 CB ALA A 90 182.747 12.453 5.806 1.00 0.00 C ATOM 0 H ALA A 90 182.131 12.673 3.428 1.00 0.00 H new ATOM 0 HA ALA A 90 183.461 10.662 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.976 12.121 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.575 13.050 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.840 13.057 5.819 1.00 0.00 H new ATOM 1447 N MET A 91 180.182 10.669 5.122 1.00 0.00 N ATOM 1448 CA MET A 91 179.032 9.897 5.586 1.00 0.00 C ATOM 1449 C MET A 91 179.118 8.452 5.100 1.00 0.00 C ATOM 1450 O MET A 91 178.912 7.517 5.875 1.00 0.00 O ATOM 1451 CB MET A 91 177.726 10.536 5.099 1.00 0.00 C ATOM 1452 CG MET A 91 176.860 11.087 6.221 1.00 0.00 C ATOM 1453 SD MET A 91 176.052 12.637 5.778 1.00 0.00 S ATOM 1454 CE MET A 91 176.503 13.665 7.174 1.00 0.00 C ATOM 0 H MET A 91 179.944 11.457 4.519 1.00 0.00 H new ATOM 0 HA MET A 91 179.041 9.898 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.963 11.343 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.154 9.794 4.542 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.102 10.349 6.485 1.00 0.00 H new ATOM 0 HG3 MET A 91 177.476 11.243 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 91 176.076 14.660 7.046 1.00 0.00 H new ATOM 0 HE2 MET A 91 176.119 13.220 8.092 1.00 0.00 H new ATOM 0 HE3 MET A 91 177.589 13.741 7.234 1.00 0.00 H new ATOM 1464 N ALA A 92 179.430 8.277 3.814 1.00 0.00 N ATOM 1465 CA ALA A 92 179.552 6.944 3.224 1.00 0.00 C ATOM 1466 C ALA A 92 180.590 6.109 3.970 1.00 0.00 C ATOM 1467 O ALA A 92 180.341 4.950 4.305 1.00 0.00 O ATOM 1468 CB ALA A 92 179.914 7.048 1.749 1.00 0.00 C ATOM 0 H ALA A 92 179.603 9.042 3.162 1.00 0.00 H new ATOM 0 HA ALA A 92 178.588 6.444 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.001 6.048 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.136 7.600 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 92 180.865 7.571 1.644 1.00 0.00 H new ATOM 1474 N ARG A 93 181.752 6.711 4.233 1.00 0.00 N ATOM 1475 CA ARG A 93 182.830 6.029 4.948 1.00 0.00 C ATOM 1476 C ARG A 93 182.370 5.595 6.340 1.00 0.00 C ATOM 1477 O ARG A 93 182.742 4.521 6.814 1.00 0.00 O ATOM 1478 CB ARG A 93 184.061 6.933 5.058 1.00 0.00 C ATOM 1479 CG ARG A 93 184.925 6.942 3.805 1.00 0.00 C ATOM 1480 CD ARG A 93 185.524 8.316 3.546 1.00 0.00 C ATOM 1481 NE ARG A 93 186.853 8.460 4.141 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.729 9.406 3.793 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.420 10.304 2.860 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.918 9.458 4.383 1.00 0.00 N ATOM 0 H ARG A 93 181.969 7.670 3.961 1.00 0.00 H new ATOM 0 HA ARG A 93 183.100 5.139 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 93 183.736 7.951 5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 93 184.666 6.607 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 93 185.725 6.210 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.325 6.639 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.589 8.486 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 93 184.862 9.081 3.950 1.00 0.00 H new ATOM 0 HE ARG A 93 187.127 7.797 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.508 10.273 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.095 11.023 2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 93 189.161 8.776 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.588 10.180 4.118 1.00 0.00 H new ATOM 1498 N LYS A 94 181.553 6.431 6.986 1.00 0.00 N ATOM 1499 CA LYS A 94 181.034 6.125 8.317 1.00 0.00 C ATOM 1500 C LYS A 94 180.232 4.823 8.299 1.00 0.00 C ATOM 1501 O LYS A 94 180.357 3.994 9.202 1.00 0.00 O ATOM 1502 CB LYS A 94 180.156 7.274 8.824 1.00 0.00 C ATOM 1503 CG LYS A 94 180.318 7.564 10.308 1.00 0.00 C ATOM 1504 CD LYS A 94 181.583 8.362 10.585 1.00 0.00 C ATOM 1505 CE LYS A 94 181.615 8.885 12.015 1.00 0.00 C ATOM 1506 NZ LYS A 94 181.035 10.255 12.124 1.00 0.00 N ATOM 0 H LYS A 94 181.238 7.324 6.607 1.00 0.00 H new ATOM 0 HA LYS A 94 181.881 6.002 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 94 180.393 8.176 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 179.112 7.037 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 94 179.451 8.118 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 94 180.350 6.626 10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 94 182.456 7.734 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 94 181.645 9.199 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 94 181.061 8.205 12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 94 182.644 8.898 12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 181.409 10.724 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.292 10.809 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 179.999 10.189 12.192 1.00 0.00 H new ATOM 1520 N LEU A 95 179.414 4.648 7.258 1.00 0.00 N ATOM 1521 CA LEU A 95 178.597 3.442 7.115 1.00 0.00 C ATOM 1522 C LEU A 95 179.469 2.232 6.774 1.00 0.00 C ATOM 1523 O LEU A 95 179.163 1.107 7.170 1.00 0.00 O ATOM 1524 CB LEU A 95 177.523 3.635 6.035 1.00 0.00 C ATOM 1525 CG LEU A 95 176.767 4.970 6.081 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.761 5.052 4.941 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.070 5.151 7.424 1.00 0.00 C ATOM 0 H LEU A 95 179.300 5.325 6.504 1.00 0.00 H new ATOM 0 HA LEU A 95 178.103 3.259 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 95 177.995 3.539 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 95 176.799 2.825 6.120 1.00 0.00 H new ATOM 0 HG LEU A 95 177.491 5.776 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.234 6.005 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.284 4.974 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 95 175.044 4.236 5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.541 6.104 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.359 4.339 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.811 5.140 8.223 1.00 0.00 H new ATOM 1539 N GLN A 96 180.560 2.471 6.042 1.00 0.00 N ATOM 1540 CA GLN A 96 181.479 1.401 5.658 1.00 0.00 C ATOM 1541 C GLN A 96 182.239 0.873 6.874 1.00 0.00 C ATOM 1542 O GLN A 96 182.387 -0.337 7.041 1.00 0.00 O ATOM 1543 CB GLN A 96 182.472 1.897 4.603 1.00 0.00 C ATOM 1544 CG GLN A 96 182.999 0.794 3.695 1.00 0.00 C ATOM 1545 CD GLN A 96 184.497 0.887 3.455 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.210 -0.113 3.532 1.00 0.00 O ATOM 1547 NE2 GLN A 96 184.984 2.088 3.157 1.00 0.00 N ATOM 0 H GLN A 96 180.827 3.396 5.704 1.00 0.00 H new ATOM 0 HA GLN A 96 180.888 0.589 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 96 181.989 2.659 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.313 2.376 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.767 -0.175 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.480 0.840 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.359 2.893 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 96 185.982 2.205 2.983 1.00 0.00 H new ATOM 1556 N ASP A 97 182.721 1.791 7.716 1.00 0.00 N ATOM 1557 CA ASP A 97 183.472 1.419 8.916 1.00 0.00 C ATOM 1558 C ASP A 97 182.624 0.564 9.857 1.00 0.00 C ATOM 1559 O ASP A 97 183.083 -0.468 10.350 1.00 0.00 O ATOM 1560 CB ASP A 97 183.966 2.672 9.649 1.00 0.00 C ATOM 1561 CG ASP A 97 185.045 2.359 10.670 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.102 1.825 10.273 1.00 0.00 O ATOM 1563 OD2 ASP A 97 184.833 2.651 11.866 1.00 0.00 O ATOM 0 H ASP A 97 182.604 2.796 7.588 1.00 0.00 H new ATOM 0 HA ASP A 97 184.332 0.829 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 97 184.354 3.385 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.125 3.152 10.149 1.00 0.00 H new ATOM 1568 N VAL A 98 181.384 0.993 10.099 1.00 0.00 N ATOM 1569 CA VAL A 98 180.475 0.257 10.977 1.00 0.00 C ATOM 1570 C VAL A 98 180.110 -1.102 10.372 1.00 0.00 C ATOM 1571 O VAL A 98 180.084 -2.113 11.076 1.00 0.00 O ATOM 1572 CB VAL A 98 179.186 1.060 11.283 1.00 0.00 C ATOM 1573 CG1 VAL A 98 178.419 1.381 10.007 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.304 0.304 12.269 1.00 0.00 C ATOM 0 H VAL A 98 180.988 1.844 9.700 1.00 0.00 H new ATOM 0 HA VAL A 98 181.004 0.099 11.917 1.00 0.00 H new ATOM 0 HB VAL A 98 179.480 2.005 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 98 177.520 1.945 10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.048 1.975 9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.139 0.453 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 98 177.404 0.884 12.471 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.026 -0.660 11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 98 178.850 0.146 13.199 1.00 0.00 H new ATOM 1584 N PHE A 99 179.832 -1.120 9.065 1.00 0.00 N ATOM 1585 CA PHE A 99 179.475 -2.357 8.372 1.00 0.00 C ATOM 1586 C PHE A 99 180.640 -3.344 8.387 1.00 0.00 C ATOM 1587 O PHE A 99 180.466 -4.506 8.750 1.00 0.00 O ATOM 1588 CB PHE A 99 179.052 -2.069 6.927 1.00 0.00 C ATOM 1589 CG PHE A 99 177.563 -2.108 6.717 1.00 0.00 C ATOM 1590 CD1 PHE A 99 176.778 -1.002 7.007 1.00 0.00 C ATOM 1591 CD2 PHE A 99 176.948 -3.251 6.231 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.410 -1.037 6.816 1.00 0.00 C ATOM 1593 CE2 PHE A 99 175.580 -3.291 6.038 1.00 0.00 C ATOM 1594 CZ PHE A 99 174.810 -2.182 6.331 1.00 0.00 C ATOM 0 H PHE A 99 179.848 -0.293 8.468 1.00 0.00 H new ATOM 0 HA PHE A 99 178.633 -2.803 8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.426 -1.087 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.523 -2.798 6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.241 -0.103 7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.545 -4.121 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.810 -0.169 7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.114 -4.188 5.659 1.00 0.00 H new ATOM 0 HZ PHE A 99 173.741 -2.211 6.181 1.00 0.00 H new ATOM 1604 N GLU A 100 181.828 -2.876 7.993 1.00 0.00 N ATOM 1605 CA GLU A 100 183.021 -3.724 7.966 1.00 0.00 C ATOM 1606 C GLU A 100 183.305 -4.314 9.347 1.00 0.00 C ATOM 1607 O GLU A 100 183.557 -5.513 9.476 1.00 0.00 O ATOM 1608 CB GLU A 100 184.237 -2.929 7.476 1.00 0.00 C ATOM 1609 CG GLU A 100 185.136 -3.711 6.530 1.00 0.00 C ATOM 1610 CD GLU A 100 186.240 -4.456 7.255 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.288 -3.836 7.535 1.00 0.00 O ATOM 1612 OE2 GLU A 100 186.058 -5.657 7.542 1.00 0.00 O ATOM 0 H GLU A 100 181.988 -1.916 7.689 1.00 0.00 H new ATOM 0 HA GLU A 100 182.832 -4.543 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 100 183.891 -2.026 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 100 184.822 -2.609 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.532 -4.422 5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.579 -3.026 5.807 1.00 0.00 H new ATOM 1619 N MET A 101 183.258 -3.465 10.376 1.00 0.00 N ATOM 1620 CA MET A 101 183.507 -3.906 11.748 1.00 0.00 C ATOM 1621 C MET A 101 182.496 -4.974 12.169 1.00 0.00 C ATOM 1622 O MET A 101 182.868 -6.001 12.738 1.00 0.00 O ATOM 1623 CB MET A 101 183.449 -2.718 12.716 1.00 0.00 C ATOM 1624 CG MET A 101 184.816 -2.246 13.187 1.00 0.00 C ATOM 1625 SD MET A 101 184.861 -1.895 14.956 1.00 0.00 S ATOM 1626 CE MET A 101 184.974 -0.107 14.946 1.00 0.00 C ATOM 0 H MET A 101 183.050 -2.471 10.284 1.00 0.00 H new ATOM 0 HA MET A 101 184.506 -4.341 11.784 1.00 0.00 H new ATOM 0 HB2 MET A 101 182.936 -1.889 12.229 1.00 0.00 H new ATOM 0 HB3 MET A 101 182.852 -2.997 13.584 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.559 -3.008 12.953 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.096 -1.348 12.636 1.00 0.00 H new ATOM 0 HE1 MET A 101 185.010 0.261 15.971 1.00 0.00 H new ATOM 0 HE2 MET A 101 185.878 0.197 14.419 1.00 0.00 H new ATOM 0 HE3 MET A 101 184.102 0.310 14.442 1.00 0.00 H new ATOM 1636 N ARG A 102 181.217 -4.726 11.880 1.00 0.00 N ATOM 1637 CA ARG A 102 180.154 -5.669 12.224 1.00 0.00 C ATOM 1638 C ARG A 102 180.269 -6.950 11.397 1.00 0.00 C ATOM 1639 O ARG A 102 180.131 -8.052 11.928 1.00 0.00 O ATOM 1640 CB ARG A 102 178.778 -5.029 12.009 1.00 0.00 C ATOM 1641 CG ARG A 102 177.919 -4.988 13.263 1.00 0.00 C ATOM 1642 CD ARG A 102 178.348 -3.869 14.201 1.00 0.00 C ATOM 1643 NE ARG A 102 179.418 -4.287 15.108 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.220 -5.010 16.215 1.00 0.00 C ATOM 1645 NH1 ARG A 102 177.997 -5.419 16.547 1.00 0.00 N ATOM 1646 NH2 ARG A 102 180.250 -5.329 16.991 1.00 0.00 N ATOM 0 H ARG A 102 180.894 -3.881 11.409 1.00 0.00 H new ATOM 0 HA ARG A 102 180.264 -5.927 13.277 1.00 0.00 H new ATOM 0 HB2 ARG A 102 178.914 -4.013 11.639 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.247 -5.582 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 102 176.874 -4.849 12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 102 177.986 -5.944 13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 102 178.685 -3.014 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 102 177.489 -3.537 14.784 1.00 0.00 H new ATOM 0 HE ARG A 102 180.373 -4.010 14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 102 177.201 -5.181 15.955 1.00 0.00 H new ATOM 0 HH12 ARG A 102 177.856 -5.970 17.394 1.00 0.00 H new ATOM 0 HH21 ARG A 102 181.190 -5.022 16.742 1.00 0.00 H new ATOM 0 HH22 ARG A 102 180.100 -5.881 17.836 1.00 0.00 H new ATOM 1660 N PHE A 103 180.523 -6.795 10.095 1.00 0.00 N ATOM 1661 CA PHE A 103 180.660 -7.936 9.188 1.00 0.00 C ATOM 1662 C PHE A 103 181.766 -8.881 9.660 1.00 0.00 C ATOM 1663 O PHE A 103 181.579 -10.097 9.702 1.00 0.00 O ATOM 1664 CB PHE A 103 180.956 -7.457 7.762 1.00 0.00 C ATOM 1665 CG PHE A 103 179.922 -7.879 6.754 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.891 -9.181 6.278 1.00 0.00 C ATOM 1667 CD2 PHE A 103 178.981 -6.975 6.284 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.941 -9.573 5.354 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.029 -7.363 5.359 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.009 -8.664 4.894 1.00 0.00 C ATOM 0 H PHE A 103 180.638 -5.887 9.645 1.00 0.00 H new ATOM 0 HA PHE A 103 179.716 -8.480 9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.028 -6.369 7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.928 -7.841 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 103 180.617 -9.897 6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 103 178.992 -5.957 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 103 178.928 -10.590 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.302 -6.650 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.266 -8.969 4.172 1.00 0.00 H new ATOM 1680 N ALA A 104 182.917 -8.310 10.019 1.00 0.00 N ATOM 1681 CA ALA A 104 184.053 -9.093 10.496 1.00 0.00 C ATOM 1682 C ALA A 104 183.714 -9.814 11.797 1.00 0.00 C ATOM 1683 O ALA A 104 184.154 -10.939 12.019 1.00 0.00 O ATOM 1684 CB ALA A 104 185.272 -8.202 10.692 1.00 0.00 C ATOM 0 H ALA A 104 183.085 -7.304 9.987 1.00 0.00 H new ATOM 0 HA ALA A 104 184.284 -9.843 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.109 -8.803 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.538 -7.735 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.043 -7.429 11.425 1.00 0.00 H new ATOM 1690 N LYS A 105 182.927 -9.160 12.654 1.00 0.00 N ATOM 1691 CA LYS A 105 182.532 -9.747 13.933 1.00 0.00 C ATOM 1692 C LYS A 105 181.575 -10.923 13.728 1.00 0.00 C ATOM 1693 O LYS A 105 181.731 -11.972 14.354 1.00 0.00 O ATOM 1694 CB LYS A 105 181.875 -8.691 14.830 1.00 0.00 C ATOM 1695 CG LYS A 105 182.851 -7.663 15.384 1.00 0.00 C ATOM 1696 CD LYS A 105 183.529 -8.157 16.655 1.00 0.00 C ATOM 1697 CE LYS A 105 182.789 -7.697 17.904 1.00 0.00 C ATOM 1698 NZ LYS A 105 181.576 -8.523 18.173 1.00 0.00 N ATOM 0 H LYS A 105 182.552 -8.226 12.485 1.00 0.00 H new ATOM 0 HA LYS A 105 183.434 -10.117 14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 105 181.102 -8.175 14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.378 -9.192 15.661 1.00 0.00 H new ATOM 0 HG2 LYS A 105 183.607 -7.437 14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 105 182.321 -6.733 15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.578 -9.246 16.642 1.00 0.00 H new ATOM 0 HD3 LYS A 105 184.556 -7.792 16.685 1.00 0.00 H new ATOM 0 HE2 LYS A 105 183.460 -7.748 18.762 1.00 0.00 H new ATOM 0 HE3 LYS A 105 182.498 -6.653 17.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 181.268 -8.378 19.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 180.813 -8.240 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 181.800 -9.528 18.025 1.00 0.00 H new ATOM 1712 N MET A 106 180.584 -10.746 12.848 1.00 0.00 N ATOM 1713 CA MET A 106 179.609 -11.802 12.569 1.00 0.00 C ATOM 1714 C MET A 106 180.250 -12.969 11.817 1.00 0.00 C ATOM 1715 O MET A 106 179.857 -14.122 12.003 1.00 0.00 O ATOM 1716 CB MET A 106 178.410 -11.258 11.779 1.00 0.00 C ATOM 1717 CG MET A 106 178.769 -10.616 10.447 1.00 0.00 C ATOM 1718 SD MET A 106 177.383 -10.596 9.293 1.00 0.00 S ATOM 1719 CE MET A 106 177.659 -12.123 8.399 1.00 0.00 C ATOM 0 H MET A 106 180.437 -9.886 12.320 1.00 0.00 H new ATOM 0 HA MET A 106 179.250 -12.170 13.530 1.00 0.00 H new ATOM 0 HB2 MET A 106 177.711 -12.074 11.597 1.00 0.00 H new ATOM 0 HB3 MET A 106 177.890 -10.523 12.393 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.108 -9.595 10.620 1.00 0.00 H new ATOM 0 HG3 MET A 106 179.602 -11.158 9.999 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.880 -12.251 7.648 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.632 -12.087 7.910 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.633 -12.962 9.095 1.00 0.00 H new ATOM 1729 N LEU A 107 181.230 -12.670 10.964 1.00 0.00 N ATOM 1730 CA LEU A 107 181.906 -13.707 10.189 1.00 0.00 C ATOM 1731 C LEU A 107 183.026 -14.365 10.997 1.00 0.00 C ATOM 1732 O LEU A 107 183.177 -15.586 10.975 1.00 0.00 O ATOM 1733 CB LEU A 107 182.473 -13.115 8.895 1.00 0.00 C ATOM 1734 CG LEU A 107 182.104 -13.867 7.614 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.635 -13.129 6.391 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.641 -15.290 7.663 1.00 0.00 C ATOM 0 H LEU A 107 181.571 -11.724 10.794 1.00 0.00 H new ATOM 0 HA LEU A 107 181.171 -14.473 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.127 -12.085 8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.559 -13.081 8.976 1.00 0.00 H new ATOM 0 HG LEU A 107 181.018 -13.914 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 107 182.364 -13.677 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.201 -12.130 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.720 -13.051 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.371 -15.813 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.726 -15.266 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.211 -15.812 8.518 1.00 0.00 H new ATOM 1748 N GLN A 108 183.802 -13.551 11.714 1.00 0.00 N ATOM 1749 CA GLN A 108 184.903 -14.059 12.533 1.00 0.00 C ATOM 1750 C GLN A 108 185.268 -13.057 13.633 1.00 0.00 C ATOM 1751 O GLN A 108 186.268 -12.323 13.472 1.00 0.00 O ATOM 1752 CB GLN A 108 186.129 -14.375 11.660 1.00 0.00 C ATOM 1753 CG GLN A 108 186.475 -13.280 10.659 1.00 0.00 C ATOM 1754 CD GLN A 108 185.985 -13.586 9.254 1.00 0.00 C ATOM 1755 OE1 GLN A 108 185.734 -14.740 8.906 1.00 0.00 O ATOM 1756 NE2 GLN A 108 185.849 -12.548 8.435 1.00 0.00 N ATOM 0 H GLN A 108 183.688 -12.538 11.744 1.00 0.00 H new ATOM 0 HA GLN A 108 184.574 -14.983 13.008 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.989 -14.546 12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 108 185.947 -15.304 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 108 186.039 -12.339 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.556 -13.141 10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 108 186.068 -11.607 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 108 185.526 -12.692 7.478 1.00 0.00 H new TER 1765 GLN A 108